CandActCFTR Seed Compounds


The following 3114 structures with currently 268914 synonyms are a list compounds which have been reported in 111 CFTR related publications published in the past decade. We collected all structures regardless of an activation of CFTR function or an improvement of CFTR processing, thus also including reported negative compound references or even inhibitors.



ID: 3001

chemical graph of compound 3001



InChIKey: QRQWTUGZDQPGSF-UHFFFAOYSA-N
SMILES: C1C2C(CC3C=CC(OC)=CC=3)C(C3=CC=CC=C3)=CC(=S)C=2C=CC=1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3002

chemical graph of compound 3002



InChIKey: QTRHBAKCRRQFSF-UHFFFAOYSA-N
SMILES: C([HH0])1C(CCC=C)=NN([HH0])C1=O

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3003

chemical graph of compound 3003



InChIKey: QVDYQHXNAQHIKH-TZIWHRDSSA-N
SMILES: c1cc(ccc1[C@H]2C[C@H](c3ccc(cc3O2)OC(F)F)NC(=O)C4(CC4)c5ccc6c(c5)OC(O6)(F)F)C(=O)O

biological descriptors:

CFTR relevance: CFTR corrector, highly potent and efficacious

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown


CID is 121301049
synonyms found at PubChem are:
J0IIT8QSQS, UNII-J0IIT8QSQS, ABBV-2222, Galicaftor, Galicaftor [INN], GLPG2222, SCHEMBL17708714, GLPG-2222, QVDYQHXNAQHIKH-TZIWHRDSSA-N, 1918143-53-9, 4-[(2R,4R)-4-({[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl}amino)-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-2-yl]benzoic acid, Benzoic acid, 4-((2R,4R)-4-(((1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl)carbonyl)amino)-7-(difluoromethoxy)-3,4-dihydro-2H-1-benzopyran-2-yl)-


ID: 3004

chemical graph of compound 3004



InChIKey: RDCTWYMYQJASTI-UHFFFAOYSA-N
SMILES: C1=CC=CC(C(=O)CC(=O)C2=NC=CC=C2)=C1OCC1=CC=C(OC)C=C1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3005

chemical graph of compound 3005



InChIKey: RDSLFJCBOOTJSQ-CPNJWEJPSA-N
SMILES: C(/C(=N/NC1=CC=CC=C1)/C)1C(C)=NN(C2=CC=CC=C2)C1=O

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"


CID is 14784238


ID: 3006

chemical graph of compound 3006



InChIKey: RFPAGSRGRRCKGS-UHFFFAOYSA-N
SMILES: C(C1=C(C)C=CS1)1C(C(=O)OC=C)=C(C)NC(C)=C1C(=O)OCC

biological descriptors:

CFTR relevance: CFTR activator

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

reference list:

"M Giampieri" "P Fossa" "LJ Galietta" "M Zacchigna" "M Mazzei" "N Pedemonte" "MT Mazzei" "F Cateni"



ID: 3007

chemical graph of compound 3007



InChIKey: RFPDEKVGEQJZQX-UHFFFAOYSA-N
SMILES: C1C2OC(C3C=CC(F)=CC=3)=CC(=O)C=2C2C=CC=CC=2C=1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"


CID is 86134087


ID: 3008

chemical graph of compound 3008



InChIKey: RRMCKZQFEOZJLN-UHFFFAOYSA-M
SMILES: [ClH0-].N12C=CC=C(C)C1=NC1=[NH0+](C=CC=C1C)C2

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3009

chemical graph of compound 3009



InChIKey: RSOZZQTUMVBTMR-XGUNBQNXSA-N
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)OC(=O)CCN(C)C

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

"E Matthes" "JW Hanrahan" "J Liao" "R Robert" "D Rotin" "GW Carlile" "J Goepp" "B Kus" "SD Macknight" "DY Thomas"


CID is 444029
synonyms found at PubChem are:
Colforsin daropate, UNII-1196KQZ976, 1196KQZ976, 113462-26-3, Colforsin dapropate HCl, colforsin dapropate, colforsin daropate HCl, AC1L9FKS, 138605-00-2, SCHEMBL219972, CHEBI:31429, DTXSID20150415, ZINC3803653, NCGC00025227-02, NCGC00025227-03, beta-Alanine, N,N-dimethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho(2,1-b)pyran-6-yl ester, [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-(dimethylamino)propanoate


ID: 3010

chemical graph of compound 3010



InChIKey: RTBMADYWNFZUHP-UHFFFAOYSA-N
SMILES: C1=CC=C(OC)C(OC)=C1C1CC(C2=C(O)C=CC=C2OC)=NN1C1=CC=C(S(N)(=O)=O)C=C1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"HK Lee" "PK Sharma" "DK Jeon" "W Namkung" "S Jo" "S Kumar" "P Khloya" "J Park" "Y Seo"



ID: 3011

chemical graph of compound 3011



InChIKey: RTKIYFITIVXBLE-QEQCGCAPSA-N
SMILES: C[C@H](/C=C(\C)/C=C/C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

reference list:

"JR Riordan" "W Kellner" "D Herman" "JW Kelly" "WR Skach" "G Manning" "EJ Sorscher" "PJ Thomas" "Y Matsumura" "T Okiyoneda" "WE Balch" "B Hoch" "AP Rodrigues" "RA Frizzell" "GL Lukacs" "JM Gottesfeld" "A Schmidt" "M Gentzsch" "JM Pilewski" "J Matteson" "S Noel" "DM Hutt" "JR_3rd Yates"


CID is 444732
synonyms found at PubChem are:
trichostatin A, 58880-19-6, Trichostatin A (TSA), TSA, Trichostatin, UNII-3X2S926L3Z, CHEBI:46024, (2E,4E,6R)-7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide, GNF-PF-1011, RTKIYFITIVXBLE-QEQCGCAPSA-N, 3X2S926L3Z, 2,4-Heptadienamide, 7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-, 7-(4-(Dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide, [R-(E,E)]-7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide, Q-201864, Tricostatin A, (2E,4E,6R)-7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide, 7-[4-(DIMETHYLAMINO)PHENYL]-N-HYDROXY-4,6-DIMETHYL-7-OXO-2,4-HEPTADIENAMIDE, 2,4-Heptadienamide, 7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-, (2E,4E,6R)-, 2,4-Heptadienamide, 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-, (2E,4E,6R)-, TSN, trichostatine a, Trichlostatin A, (2E,4E,6R)-7-(4-dimethylaminophenyl)-4,6-dimethyl-7-oxo-hepta-2,4-dienehydroxamic acid, (2E,4E,6R)-7-(4-Dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxo-hepta-2,4-dienamide, Trichostatin A,TSA, Trichostatin A/TSA, Antibiotic A-300, (R)-Trichostatin A, NCGC_TSA, 1c3r, 3f0r, Trichostatin-A - TSA, AC1L9GSU, A 300, D0NF6F, SCHEMBL19886, MLS006011095, SGCTO-002, SCHEMBL675951, GTPL7005, DTXSID6037063, CHEBI:93196, MolPort-003-959-819, MolPort-044-724-267, ZX-AFC000233, BCPP000035, HMS1362L09, HMS1792L09, HMS1990L09, HMS3403L09, HMS3649O20, BCP01776, EX-A1665, ABP000141, BDBM50005711, LMPK01000055, MFCD03848392, s1045, Trichostatin A from Streptomyces sp., AKOS015899840, ZINC100014731, A-300-I, CCG-208142, CCG-208681, CS-0499, DB04297, RL04219, NCGC00162453-01, NCGC00162453-02, NCGC00162453-03, NCGC00162453-04, NCGC00162453-05, NCGC00162453-15, 3C10, HY-15144, KB-81257, LS-74195, M984, SC-73346, SMR004702883, A8183, M02571, W-5309, 880T196, SR-05000013796, SR-05000013796-3, BRD-K68202742-001-04-1, BRD-K68202742-001-05-8, I14-11732, Trichostatin A, >=98% (HPLC), from Streptomyces sp., UNII-30RHG284Z4 component RTKIYFITIVXBLE-QEQCGCAPSA-N, Trichostatin A??, Vetec(TM) reagent grade, from Streptomyces sp., >=98%, (2E,4E,6R)-7-(4-dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide, (6R)-N-Hydroxy-4,6-dimethyl-7-oxo-7-[4-(dimethylamino)phenyl]-2,4-heptadienamide, (R,2E,4E)-7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide, 7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6R-dimethyl-7-oxo-2E,4E-heptadienamide, 2,4-Heptadienamide, 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-, (2E,4E,6R)- (9CI), 2,4-Heptadienamide, 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-, [R-(E,E)]-


ID: 3012

chemical graph of compound 3012



InChIKey: RWSCLIMEWLULIU-UHFFFAOYSA-N
SMILES: C1C2OC(C3C=CC(C4=CC=C(SC)C=C4)=CC=3)=CC(=O)C=2C(O)=CC=1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3013

chemical graph of compound 3013



InChIKey: SEUJVWBTKUOHEQ-UHFFFAOYSA-N
SMILES: C1(=CC=CC=C1)COCC1ON=C(C2=NOC(COCC3=CC=CC=C3)=C2)C=1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3014

chemical graph of compound 3014



InChIKey: SFCMPVWUVZLOFH-UHFFFAOYSA-N
SMILES: COC(=O)C1=C2C(=NC(=N1)N)CNC(=O)C3=C2C(=C(N3)Br)Br

biological descriptors:

CFTR relevance: CFTR Trafficking Corrector, PARP inhibitor

Category:
Influence on CFTR function enhances CFTR function
Order of interaction indirect
subcellular compartment ER & Golgi (Translation, quality control, trafficking, PTM)

reference list:

"SM Anjos" "JW Hanrahan" "KA Teske" "R Robert" "RA Keyzers" "RG Linington" "HM Sampson" "GW Carlile" "DY Thomas" "RJ Andersen" "J Liao" "CA Gray" "RM Centko" "L Yan" "DE Williams" "D Zhang"


CID is 25168132
synonyms found at PubChem are:
SCHEMBL13042346, 1,2-Dibromo-4-oxo-8-amino-3,4,5,6-tetrahydro-3,5,7,9-tetraazabenzo[e]azulene-10-carboxylic acid methyl ester


ID: 3015

chemical graph of compound 3015



InChIKey: SJCSTIDLOLDATR-UHFFFAOYSA-M
SMILES: [IH0-].S1C2C=CC=CC=2N2C([HH0])=[NH0+]3C4C=CC=CC=4SC3=NC12

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3016

chemical graph of compound 3016



InChIKey: SJHUDINIMLGKDO-UHFFFAOYSA-N
SMILES: C1=CC=CC2C=CC(C(=O)C)=C(OC(=O)C3=CC(C(F)(F)F)=CC=C3)C1=2

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3017

chemical graph of compound 3017



InChIKey: SLHLHESUSCADMP-UHFFFAOYSA-N
SMILES: C1C(C)CC(Br)C2NC3C(=O)CCCC=3C1=2

biological descriptors:

CFTR relevance: strong CFTR potentiator

Category:
Influence on CFTR function enhances CFTR function
Order of interaction binds to CFTR
subcellular compartment Apical membrane & subapical compartment

reference list:

"RK Guy" "A Taddei" "LJ Galietta" "H Yang" "VS Gopinath" "AA Shelat" "C Folli" "T Ma" "K Du" "N Pedemonte" "GL Lukacs" "AS Verkman"


CID is 85871990


ID: 3018

chemical graph of compound 3018



InChIKey: SPJAGELQBZMCPJ-UHFFFAOYSA-N
SMILES: C1=CC(OC)=C(OC)C=C1C1CC(C2=C(O)C=CC=C2O)=NN1C1=CC=C(S(N)(=O)=O)C=C1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"HK Lee" "PK Sharma" "DK Jeon" "W Namkung" "S Jo" "S Kumar" "P Khloya" "J Park" "Y Seo"



ID: 3019

chemical graph of compound 3019



InChIKey: SRKHILYHEMRDJV-NFBKMPQASA-N
SMILES: COc1ccc2c(c1)[C@@H](C[C@@H](O2)c3cccc(c3)C(=O)O)NC(=O)C4(CC4)c5ccc6c(c5)OC(O6)(F)F

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown


CID is 121301024
synonyms found at PubChem are:
SCHEMBL17708687


ID: 3020

chemical graph of compound 3020



InChIKey: SUNJYLTZHCRJAG-UHFFFAOYSA-N
SMILES: [IH0-].C12C(O)=CC=CN1C[NH0+]1C=CC=C(O)C=1N=2

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3021

chemical graph of compound 3021



InChIKey: SWNGJEHCLHVUNW-UHFFFAOYSA-M
SMILES: [NH0+](CC1CCC(CO)CC1)1C=C2C=CC=CC2=CC=1.CCCCCCCCCCCCOS(=O)(=O)[OH0-]

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3022

chemical graph of compound 3022



InChIKey: SXWPGTCAGAAPEV-UHFFFAOYSA-N
SMILES: O(CCC1ON=C(C2OC=CC=2)C=1)CC1=CC(C2C=C(COCCCC)ON=2)=NO1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3023

chemical graph of compound 3023



InChIKey: SZMWXXPEXYKTGC-UHFFFAOYSA-N
SMILES: C1(OC=CC=1)C1C=C(COCC2=CC(C3C=C(COCCCC)ON=3)=NO2)ON=1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3024

chemical graph of compound 3024



InChIKey: UBRGWUAONWVDKB-UHFFFAOYSA-N
SMILES: [ClH0-].C1(=CC=CC=C1)CC1C[NH0+]2C=CC=CC=2C(=O)N1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3025

chemical graph of compound 3025



InChIKey: UNOWBPZMWCFSSM-UHFFFAOYSA-N
SMILES: C1=CC(OC)=C(OC)C=C1C1CC(C2=C(O)C=CC=C2OC)=NN1C1=CC=C(S(N)(=O)=O)C=C1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"HK Lee" "PK Sharma" "DK Jeon" "W Namkung" "S Jo" "S Kumar" "P Khloya" "J Park" "Y Seo"



ID: 3026

chemical graph of compound 3026



InChIKey: UPIBBGPXNOPIDA-UHFFFAOYSA-N
SMILES: C(C1=C(SCC(=C)OC)C=CS1)1C(C(=O)OC2C=CC=CC=2)=C(C)NC(C)=C1C(=O)OCC

biological descriptors:

CFTR relevance: CFTR activator

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

reference list:

"M Giampieri" "P Fossa" "LJ Galietta" "M Zacchigna" "M Mazzei" "N Pedemonte" "MT Mazzei" "F Cateni"



ID: 3027

chemical graph of compound 3027



InChIKey: UQCWVRJXPVVQMB-UHFFFAOYSA-N
SMILES: C1C2OC(C3C=CC=C(F)C=3)=C(C)C(=O)C=2C=CC=1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3028

chemical graph of compound 3028



InChIKey: UTVVEKUCCRQJLL-TZIWHRDSSA-N
SMILES: c1cc(cc(c1)C(=O)O)[C@H]2C[C@H](c3ccc(cc3O2)F)NC(=O)C4(CC4)c5ccc6c(c5)OC(O6)(F)F

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown


CID is 121301297
synonyms found at PubChem are:
SCHEMBL17708985


ID: 3029

chemical graph of compound 3029



InChIKey: UYJZZVDLGDDTCL-UHFFFAOYSA-N
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32

biological descriptors:

CFTR relevance: PARP inhibitor

Category:
Influence on CFTR function enhances CFTR function
Order of interaction indirect
subcellular compartment Nucleus (Transcription)

reference list:

"SM Anjos" "JW Hanrahan" "KA Teske" "R Robert" "RA Keyzers" "RG Linington" "HM Sampson" "GW Carlile" "DY Thomas" "RJ Andersen" "J Liao" "CA Gray" "RM Centko" "L Yan" "DE Williams" "D Zhang"
"SM Anjos" "JW Hanrahan" "R Robert" "R Phillipe" "F Ciciriello" "HM Sampson" "GW Carlile" "J Goepp" "DY Thomas" "H Balghi" "J Liao" "F Dantzer" "P Lesimple" "P Ferraro" "DL Zhang" "D Waller"


CID is 4858
synonyms found at PubChem are:
PJ34, 344458-19-1, pj-34, CHEMBL372303, UYJZZVDLGDDTCL-UHFFFAOYSA-N, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, P34, 2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)acetamide, Acetamide, N-(5,6-dihydro-6-oxo-2-phenanthridinyl)-2-(dimethylamino)-, PJ34(free base), 1xk9, D04WDX, SCHEMBL422317, AC1L1J45, ZINC8960, BDBM27497, CTK1B7701, Ibrutinib (PCI32765 pound(c), MolPort-035-395-737, HMS3651B06, BCP07990, 2662AH, HY-13688A, AKOS030229047, CS-1463, DB08348, NCGC00370866-10, AJ-08322, BC600341, DA-42692, AB0109995, FT-0722456, W-5671, BRD-K11853856-003-01-3, 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide, 2-(dimethylamino)-N-(5,6-dihydro-6-oxophenanthridin-2yl)acetamide, 2-Dimethylamino-N-(6-oxo-5,6-dihydro-phenanthridin-2-yl)-acetamide, N-(6-oxo-5,6-dihydro- phenanthridin-2-yl)-N,N-dimethylacetamide, N-(5,6-Dihydro-6-oxo-2-phenanthridinyl)-2-(dimethylamino)-acetamide


ID: 3030

chemical graph of compound 3030



InChIKey: UYVWZMMXIHKTSX-KPKJPENVSA-N
SMILES: C(/C=N/O)1C(C2=CC=CC=C2)=NN(C)C1=O

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3031

chemical graph of compound 3031



InChIKey: VFYMPIDZJNUFJK-UHFFFAOYSA-N
SMILES: C1CNC(=O)C2[NH0]C(Br)=C(C)C=2C=1

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

"E Matthes" "JW Hanrahan" "Q Yang" "R Solari" "CM Edge" "R Hatley" "R Robert" "V Birault" "GW Carlile" "R Andersen" "DY Thomas"



ID: 3032

chemical graph of compound 3032



InChIKey: VJJQODKBSDDABN-ULAWRXDQSA-N
SMILES: N(CC(F)(F)C)1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1

biological descriptors:

CFTR relevance: Non-effective CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

reference list:

"J Désiré" "S Thibaudeau" "F Becq" "T Legigan" "C Norez" "I Adachi" "J Bertrand" "M Forcella" "A Kato" "A Mingot" "P Parenti" "Y Blériot" "V Cendret"



ID: 3033

chemical graph of compound 3033



InChIKey: VKMQILQFLGSWPG-UHFFFAOYSA-N
SMILES: C1(=C(OCC2=CC=C(OC)C=C2)C=CC=C1)C(=O)CC(O)C1=CC=CC=C1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3034

chemical graph of compound 3034



InChIKey: VNEPQZCFCFKOKO-UHFFFAOYSA-N
SMILES: C1=CC=CC2C(=O)C=C(C3C=CC=CC=3)C(CC3=CC=CC=C3)C1=2

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3035

chemical graph of compound 3035



InChIKey: VQWYENSHOSDORF-UTINFBMNSA-N
SMILES: N(CCC#C)1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

reference list:

"J Désiré" "S Thibaudeau" "F Becq" "T Legigan" "C Norez" "I Adachi" "J Bertrand" "M Forcella" "A Kato" "A Mingot" "P Parenti" "Y Blériot" "V Cendret"



ID: 3036

chemical graph of compound 3036



InChIKey: VRKZEOFXEIZHKY-UHFFFAOYSA-N
SMILES: C(O)1CNC(=O)C2[NH0]C(Br)=C(C)C=2C=1

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

"E Matthes" "JW Hanrahan" "Q Yang" "R Solari" "CM Edge" "R Hatley" "R Robert" "V Birault" "GW Carlile" "R Andersen" "DY Thomas"



ID: 3037

chemical graph of compound 3037



InChIKey: VVVFEOSCKXCYBU-UHFFFAOYSA-N
SMILES: CN1C2=C(C=C(C=C2)Br)N=C1CO

biological descriptors:

CFTR relevance: ß-site binder

Category:
Influence on CFTR function unknown
Order of interaction binds to CFTR
subcellular compartment several

reference list:

"JD Forman-Kay" "K Wang" "H Wang" "JD Hall" "AE Aulabaugh" "PA Chong" "LJ Byrnes" "S Shanker" "IV Efremov"


CID is 63758472
synonyms found at PubChem are:
MolPort-020-519-908, AKOS013069650, (5-bromo-1-methyl-1H-1,3-benzodiazol-2-yl)methanol


ID: 3038

chemical graph of compound 3038



InChIKey: WCALFYGEAUOGIB-UHFFFAOYSA-N
SMILES: C([NH0+](=O)[OH0-])1=CC=C(C(=O)OC2=CC(OC(=C)C3=CC=C([NH0+](=O)[OH0-])C=C3)=C(C(=O)C)C=C2)C=C1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3039

chemical graph of compound 3039



InChIKey: WCGWXWMIXLFLMB-UHFFFAOYSA-N
SMILES: C1(=C(OCC2=CC=C(OC)C=C2)C=CC=C1)C(=O)CC(=O)C1=CC=CC=C1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3040

chemical graph of compound 3040



InChIKey: WDJUZGPOPHTGOT-XUDUSOBPSA-N
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

reference list:

"SM Anjos" "H Balghi" "JW Hanrahan" "A Luini" "J Liao" "R Robert" "D Zhang" "F Ciciriello" "GW Carlile" "DY Thomas" "A Carissimo"


CID is 441207
synonyms found at PubChem are:
digitoxin, Digitoxoside, 71-63-6, Unidigin, Digitoxinum, Coramedan, Crystodigin (TN), Digipural, Asthenthilo, Digitossina, Digitoxosidum, Carditalin, Digitoksim, Digitoxina, Digitoxine, Monodigitoxoside, Mono-digitoxid, Mono-glycocard, Cardidigin, Carditoxin, Crystodigin, Digitoksin, Cardigin, Digitophyllin, Digitossina [DCIT], Acedoxin, Cristapurat, Digimerck, Digisidin, Myodigin, Purpurid, Tardigal, Digicor, Digitalin, crystalline, Digitaline, Mono-digitoxid [German], Digitoxine [INN-French], Digitoxinum [INN-Latin], Tri-digitoxoside [German], Digitoxina [INN-Spanish], Digitoxigenin-tridigitoxosid, UNII-E90NZP2L9U, Digitaline nativelle, Digilong, Digimed, Digitrin, Ditaven, Glucodigin, Lanatoxin, Natigal, Purodigin, Tri-digitoxoside, Digitalinum verum, De-Tone, Crystalline digitalin, Digitoxigenin tridigitoxoside, Digitoxigenin-tridigitoxosid [German], Digitaline cristallisee, Purodigin, crystalline, E90NZP2L9U, MLS000069787, CHEBI:28544, Caswell No. 349, SMR000058529, DSSTox_CID_2933, Digitoxin [INN:BAN:JAN], DSSTox_RID_76793, Crystalline, DSSTox_GSID_22933, CCRIS 7116, HSDB 215, Cardiolanata, Lanostabil, Digilanid, Pandigal, Panlanat, NSC 7529, EINECS 200-760-5, C41H64O13, EPA Pesticide Chemical Code 097002, BRN 0076678, CAS-71-63-6, 1339-93-1, 3beta-[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide, inhibits Na+/K+ ATPase, NSC7529, tradigal, Digitoxin [USP:INN:BAN:JAN], Digitaline (TN), NCGC00159428-02, 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-, AC1L9AQX, D0M3QP, SCHEMBL20940, Digitoxin (JP15/USP/INN), Digitoxin (JP17/USP/INN), CHEMBL254219, cid_441207, GTPL6782, MEGxp0_001901, DTXSID0022933, REGID_for_CID_441207, ACon0_000319, ACon1_000610, BDBM46356, 5.beta.-Card-20(22)-enolide, 3.beta.,14-dihydroxy-, 3-[tris-(digitoxoside)], MolPort-001-742-606, WDJUZGPOPHTGOT-XUDUSOBPSA-N, Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy, (3beta,5beta)-, HY-B1357, Tox21_111659, Tox21_302269, LMST01120018, MFCD00003686, ZINC95862733, AKOS015915863, Digitoxin, >=92% (HPLC), powder, Tox21_111659_1, CCG-208538, CS-5502, DB01396, MCULE-8291336831, MCULE-9783596421, SMP1_000096, NCGC00142623-02, NCGC00142623-03, NCGC00142623-04, NCGC00142623-05, NCGC00255265-01, SC-43721, ST072187, SBI-0051348.P003, D0542, LT00244784, Y0070, 6467-EP1441224A2, 6467-EP2270011A1, C06955, D00297, 16732-EP2280955A2, 16732-EP2280980A1, 16732-EP2292612A2, 16732-EP2300441A1, 16732-EP2301938A1, 16732-EP2303866A2, 16732-EP2307386A1, 16732-EP2315764A2, 16732-EP2376427A1, 16732-EP2376433A1, 071D636, Q-100791, SR-01000721879-2, BRD-K63668566-001-01-7, I14-53595, A572A148-EC30-47D2-A32A-C9D8A93F8EFC, Z1558290128, Digitoxin, European Pharmacopoeia (EP) Reference Standard, Digitoxin, United States Pharmacopeia (USP) Reference Standard, UNII-3899510F8M component WDJUZGPOPHTGOT-XUDUSOBPSA-N, (3beta,5beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide, 1367-39-1, 1391-34-0, 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13, 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 3beta-[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide, 4-((1S,2S,5S,11S,7R,10R,14R,15R)-5-{5-[5-((2S,4S,5S,6R)-4,5-dihydroxy-6-methyl (2H-3,4,5,6-tetrahydropyran-2-yloxy))(4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5 ,6-tetrahydropyran-2-yloxy)](4S,5S,2R,6R)-, 4-((1S,2S,5S,11S,7R,10R,14R,15R)-5-{5-[5-((2S,4S,5S,6R)-4,5-dihydroxy-6-methyl (2H-3,4,5,6-tetrahydropyran-2-yloxy))(4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5 ,6-tetrahydropyran-2-yloxy)](4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5,6-tetrah ydropyran-2-yloxy), 4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-(((2R,4S,5S,6R)-5-(((2S,4S,5S,6R)-5-(((2S,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one, 4-[(1S,2S,5S,7R,10R,11S,14R,15R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one, 4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one, 4-hydroxy-6-methyl(2H-3,4,5,6-tetrah ydropyran-2-yloxy)}-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]h eptadec-14-yl)-5-hydrofuran-2-one, 5beta,20(22)-Cardenolide-3beta,14-diol-3-(O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-[1-->4]-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-[1-->4]-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy, 82476-56-0, Card-20(22)-enolide, 3-((O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-, Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-, Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-


ID: 3041

chemical graph of compound 3041



InChIKey: WDOJXVAIIUMGJQ-UHFFFAOYSA-N
SMILES: C1C2OC(C3C=CC(C(C)(C)C)=CC=3)=CC(=O)C=2C=CC=1OC

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3042

chemical graph of compound 3042



InChIKey: WDPIZEKLJKBSOZ-UHFFFAOYSA-N
SMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)O.[Na+]

biological descriptors:

CFTR relevance: CFTR corrector, pocket 2

Category:
Influence on CFTR function enhances CFTR function
Order of interaction binds to CFTR
subcellular compartment several

reference list:

"G Faure" "J Fritsch" "M Dadlez" "S Bitam" "N Servel" "F Becq" "H Herrmann" "C Norez" "P Zielenkiewicz" "N Odolczyk" "GL Lukacs" "G Wieczorek" "L Wiszniewski" "A Edelman" "P Melin-Heschel" "J Colas" "A Kupniewska" "A Roldan" "MF da Cunha" "M Ollero" "D Tondelier" "EL Saussereau" "K Tarnowski"


CID is 5351640
synonyms found at PubChem are:
NSC11237, NSC-11237, Ammonium,6-disulfo-1-naphthyl)benzylidene]-2,5-cyclohexadien-1-ylidene]dimethyl-, hydroxide, inner salt, sodium salt, Methanaminium,6-disulfo-1-naphthalenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, hydroxide, inner salt, monosodium salt


ID: 3043

chemical graph of compound 3043



InChIKey: WEDFRZABLLNRKY-UHFFFAOYSA-N
SMILES: C1C2OC(C3C=CC(C4OC=C5C=CC=CC=45)=CC=3)=CC(=O)C=2C(O)=CC=1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3044

chemical graph of compound 3044



InChIKey: WEPANVRUSUCVPC-UHFFFAOYSA-N
SMILES: c1ccc(cc1)C2CC(c3ccccc3O2)NC(=O)C4(CC4)c5ccc6c(c5)OC(O6)(F)F

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown


CID is 121301188
synonyms found at PubChem are:
SCHEMBL17708869


ID: 3045

chemical graph of compound 3045



InChIKey: WFAARERSPOAPHJ-JJNLEZRASA-N
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)SC=C(N)O)O)O

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

"E Matthes" "JW Hanrahan" "J Liao" "R Robert" "D Rotin" "GW Carlile" "J Goepp" "B Kus" "SD Macknight" "DY Thomas"


CID is 445807


ID: 3046

chemical graph of compound 3046



InChIKey: WFFCYRNGFPIJHW-UHFFFAOYSA-N
SMILES: C1(=CC=CC=C1C(OCC2=CC=C(C(=C2)OC(CC3=C(C=CC=C3)C(F)(F)F)=O)C(C)=O)=O)C(F)(F)F

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3047

chemical graph of compound 3047



InChIKey: WGMFVIIZSHBZJC-UHFFFAOYSA-N
SMILES: C1C2OC(C3C=CC(C4=CSC=C4)=CC=3)=CC(=O)C=2C(O)=CC=1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3048

chemical graph of compound 3048



InChIKey: WMNXVNCBIDSIQZ-UHFFFAOYSA-N
SMILES: C1CNC(=O)C2[NH0]C(C)=C(C)C=2C=1

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

"E Matthes" "JW Hanrahan" "Q Yang" "R Solari" "CM Edge" "R Hatley" "R Robert" "V Birault" "GW Carlile" "R Andersen" "DY Thomas"



ID: 3049

chemical graph of compound 3049



InChIKey: WQEAXCMYYLABKB-UHFFFAOYSA-N
SMILES: C2(=CC1=C([N]C(=C1Br)C)C(=O)NC2)OC

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

"E Matthes" "JW Hanrahan" "Q Yang" "R Solari" "CM Edge" "R Hatley" "R Robert" "V Birault" "GW Carlile" "R Andersen" "DY Thomas"



ID: 3050

chemical graph of compound 3050



InChIKey: WTFGHMZUJMRWBK-UHFFFAOYSA-N
SMILES: C1=CC2=C(C=C1Br)C(=CN2)CC(=O)O

biological descriptors:

CFTR relevance: BIA site binder

Category:
Influence on CFTR function none
Order of interaction binds to CFTR
subcellular compartment several

reference list:

"JD Forman-Kay" "K Wang" "H Wang" "JD Hall" "AE Aulabaugh" "PA Chong" "LJ Byrnes" "S Shanker" "IV Efremov"


CID is 96734
synonyms found at PubChem are:
40432-84-6, 5-Bromoindole-3-acetic acid, 2-(5-bromo-1H-indol-3-yl)acetic acid, (5-Bromo-1H-indol-3-yl)-acetic acid, 1h-indole-3-acetic acid, 5-bromo-, (5-bromo-1H-indol-3-yl)acetic acid, 5-Bromo-3-indoleacetic acid, CHEMBL82440, 5-BROMO-1H-INDOLE-3-ACETIC ACID, 5-Bromoindole-3-aceticacid, 4ojq, NSC88145, EINECS 254-917-8, PubChem15852, ACMC-1AO2Y, 5-BR-IAA, 5-Bromoindole-3acetic acid, AC1L3X3R, AC1Q1H9S, 5-bromo-3-indolylacetic acid, KSC237Q3N, SCHEMBL1519655, CTK1D7836, DTXSID90193455, MolPort-001-759-338, WTFGHMZUJMRWBK-UHFFFAOYSA-N, ZINC404314, AC1Q7506, AC1Q7507, ACT04939, BCP27605, 1H-Indole-3-aceticacid, 5-bromo-, 5-Bromoindole-3-acetic acid, 97%, ANW-50901, BDBM50201889, MFCD00005637, NSC-88145, SBB066626, AKOS005259035, AC-9216, AN-7234, CB-1372, CS-W008295, MCULE-7197362248, QC-9166, RP29054, RTR-016148, TRA0042858, VI30266, AJ-22322, BC004052, BR-30397, DS-12031, KB-42477, 2-(5-bromo-1H-indol-3-yl)-acetic acid, AB0006413, DB-005373, KB-223311, TR-016148, 4CH-007226, A6764, AM20060618, FT-0600594, FT-0620161, ST24027572, ST50308168, W6089, EN300-49939, A-1877, 432B846, Z1245537965, 2-(5-bromo-1H-indol-3-yl)acetic acid;(5-Bromo-1H-indol-3-yl)-aceticacid, 2SX


ID: 3051

chemical graph of compound 3051



InChIKey: WTIFWNIVNWDXEU-DEDYPNTBSA-N
SMILES: C(/C(=N/NC(C1=CC=CC=C1)=O)/C)1C(C)=NN(C2=CC=CC=C2)C1=O

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3052

chemical graph of compound 3052



InChIKey: WUYAXFIMCSEVKJ-UHFFFAOYSA-N
SMILES: C12C=CC=CC=1C=CC1C(=O)C=C(C3=CC=CC(C(F)(F)F)=C3)OC2=1

biological descriptors:

CFTR relevance: effective CFTR activator

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3053

chemical graph of compound 3053



InChIKey: WVGUWJOVXKGXTK-UHFFFAOYSA-N
SMILES: C1=CC=C(OC)C(OC)=C1C1CC(C2=C(O)C=CC=C2O)=NN1C1=CC=C(S(N)(=O)=O)C=C1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"HK Lee" "PK Sharma" "DK Jeon" "W Namkung" "S Jo" "S Kumar" "P Khloya" "J Park" "Y Seo"



ID: 3054

chemical graph of compound 3054



InChIKey: XBRXTFQPRLTHEH-UHFFFAOYSA-N
SMILES: C1(=NC=CC=C1)C1C=C(CNC(=O)OCCC)ON=1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3055

chemical graph of compound 3055



InChIKey: XCSAVBFMRKLAMV-UHFFFAOYSA-N
SMILES: C(C(=O)CC)1=CC=CC=C1OC(=O)C1=CC=C([NH0+](=O)[OH0-])C=C1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3056

chemical graph of compound 3056



InChIKey: XEJBWGUOABDGLH-UHFFFAOYSA-N
SMILES: C(C(F)(F)F)1=CC=C(C(=O)OC2=CC(OC(=C)C3=CC=C(C(F)(F)F)C=C3)=C(C(=O)C)C=C2)C=C1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3057

chemical graph of compound 3057



InChIKey: XGJKADGASPPCCX-UHFFFAOYSA-N
SMILES: C1=CC(OC)=CC(OC)=C1C1CC(C2=C(O)C=CC=C2)=NN1C1=CC=C(S(N)(=O)=O)C=C1

biological descriptors:

CFTR relevance: CFTR potentiator

Category:
Influence on CFTR function enhances CFTR function
Order of interaction binds to CFTR
subcellular compartment Apical membrane & subapical compartment

reference list:

"HK Lee" "PK Sharma" "DK Jeon" "W Namkung" "S Jo" "S Kumar" "P Khloya" "J Park" "Y Seo"



ID: 3058

chemical graph of compound 3058



InChIKey: XHTUCAIJRJPWQS-UHFFFAOYSA-N
SMILES: C12C3=NOCC3CCC1=NN(C1=CC=CC=C1)C2OC

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3059

chemical graph of compound 3059



InChIKey: XJSGHOOFABZHRF-IFMALSPDSA-N
SMILES: COc1ccc2c(c1)O[C@H](C[C@H]2NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F)c6ccc(cc6)C(=O)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown


CID is 121301334
synonyms found at PubChem are:
SCHEMBL17709026, XJSGHOOFABZHRF-IFMALSPDSA-N, 4-[(2R,4R)-4-({[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl}amino)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]benzoic acid


ID: 3060

chemical graph of compound 3060



InChIKey: XOQDICYZWFFYGC-UHFFFAOYSA-N
SMILES: C1=CC=C(OC)C(OC)=C1C1CC(C2=C(O)C=CC(C)=C2)=NN1C1=CC=C(S(N)(=O)=O)C=C1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"HK Lee" "PK Sharma" "DK Jeon" "W Namkung" "S Jo" "S Kumar" "P Khloya" "J Park" "Y Seo"



ID: 3061

chemical graph of compound 3061



InChIKey: XQPNCZDPZRCEHB-UHFFFAOYSA-N
SMILES: CCOC(=O)C1=C2C(=NC(=N1)N)CNC(=O)C3=C2C(=C(N3)Br)Br

biological descriptors:

CFTR relevance: CFTR Trafficking Corrector, PARP inhibitor

Category:
Influence on CFTR function enhances CFTR function
Order of interaction indirect
subcellular compartment ER & Golgi (Translation, quality control, trafficking, PTM)

reference list:

"SM Anjos" "JW Hanrahan" "KA Teske" "R Robert" "RA Keyzers" "RG Linington" "HM Sampson" "GW Carlile" "DY Thomas" "RJ Andersen" "J Liao" "CA Gray" "RM Centko" "L Yan" "DE Williams" "D Zhang"


CID is 25168133
synonyms found at PubChem are:
SCHEMBL13042344


ID: 3062

chemical graph of compound 3062



InChIKey: YAZWGQPBZYRJOI-UHFFFAOYSA-N
SMILES: C2=C(C=C1C=C(C(=NC1=C2)N3CCN(CC3)C(C4=C(C=CC=C4)Cl)=O)C#N)OC.CC

biological descriptors:

CFTR relevance: CFTR potentiator

Category:
Influence on CFTR function enhances CFTR function
Order of interaction binds to CFTR
subcellular compartment Apical membrane & subapical compartment

reference list:

"JM Knapp" "MJ Kurth" "PW Phuan" "B Yang" "AB Wood" "GL Lukacs" "AS Verkman"



ID: 3063

chemical graph of compound 3063



InChIKey: YCMVNNBTUGGHDO-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C(CC(O2)c3ccccc3Cl)NC(=O)C4(CC4)c5ccc6c(c5)OC(O6)(F)F

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown


CID is 121301285
synonyms found at PubChem are:
SCHEMBL17708971


ID: 3064

chemical graph of compound 3064



InChIKey: YQPMMCSWGHFWEY-UTINFBMNSA-N
SMILES: N(CCC=C)1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

reference list:

"J Désiré" "S Thibaudeau" "F Becq" "T Legigan" "C Norez" "I Adachi" "J Bertrand" "M Forcella" "A Kato" "A Mingot" "P Parenti" "Y Blériot" "V Cendret"



ID: 3065

chemical graph of compound 3065



InChIKey: YWPPDWBQKYEYCU-UHFFFAOYSA-N
SMILES: C1=CC=C(OC)C(OC)=C1C1CC(C2=C(O)C=CC=C2)=NN1C1=CC=C(S(N)(=O)=O)C=C1

biological descriptors:

CFTR relevance: CFTR potentiator

Category:
Influence on CFTR function enhances CFTR function
Order of interaction binds to CFTR
subcellular compartment Apical membrane & subapical compartment

reference list:

"HK Lee" "PK Sharma" "DK Jeon" "W Namkung" "S Jo" "S Kumar" "P Khloya" "J Park" "Y Seo"



ID: 3066

chemical graph of compound 3066



InChIKey: YXSQRBVTVVVHEQ-UHFFFAOYSA-N
SMILES: C1CNC(=O)C2[NH0]C(Br)=C(Br)C=2C=1

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

"E Matthes" "JW Hanrahan" "Q Yang" "R Solari" "CM Edge" "R Hatley" "R Robert" "V Birault" "GW Carlile" "R Andersen" "DY Thomas"



ID: 3067

chemical graph of compound 3067



InChIKey: ZBAIIYYJTYBJCO-UHFFFAOYSA-N
SMILES: C1(=CC=CC=C1OC)C1C=C(CN(C(C)C)CCC(=O)OC)ON=1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3068

chemical graph of compound 3068



InChIKey: ZDIQSOCBAFPKHR-UHFFFAOYSA-N
SMILES: C1=CC=CC2C=CC(C(=O)C)=C(OC(=O)C3=CC=CC=C3I)C1=2

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3069

chemical graph of compound 3069



InChIKey: ZIEPEWXOOMYMCQ-UHFFFAOYSA-N
SMILES: C2=CC=C1C=C(C(=NC1=C2C)NCCNC(NC3=CC=CC=C3OCC)=S)C#N.CC

biological descriptors:

CFTR relevance: CFTR potentiator

Category:
Influence on CFTR function enhances CFTR function
Order of interaction binds to CFTR
subcellular compartment Apical membrane & subapical compartment

reference list:

"JM Knapp" "MJ Kurth" "PW Phuan" "B Yang" "AB Wood" "GL Lukacs" "AS Verkman"



ID: 3070

chemical graph of compound 3070



InChIKey: ZKUDXIBQPONYCY-UHFFFAOYSA-N
SMILES: C(C(=O)CC)1=CC=CC=C1OC(=O)C1=C(I)C=CC=C1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3071

chemical graph of compound 3071



InChIKey: ZMAQFJHAVRILQP-UHFFFAOYSA-M
SMILES: [NH0+](C(C1=CC=CC=C1)CO)1C=C2C=CC=CC2=CC=1.CCCCCCCCCCCCOS(=O)(=O)[OH0-]

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"


CID is 85173603


ID: 3072

chemical graph of compound 3072



InChIKey: ZOZLJFXFSKTQIQ-BZNPZCIMSA-N
SMILES: N(CCC(F)(F)C)1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1

biological descriptors:

CFTR relevance: Non-effective CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

reference list:

"J Désiré" "S Thibaudeau" "F Becq" "T Legigan" "C Norez" "I Adachi" "J Bertrand" "M Forcella" "A Kato" "A Mingot" "P Parenti" "Y Blériot" "V Cendret"



ID: 3073

chemical graph of compound 3073



InChIKey: ZQUKOPGOGYBHSM-TZIWHRDSSA-N
SMILES: c1cc(cc(c1)C(=O)O)[C@H]2C[C@H](c3ccc(cc3O2)C(F)(F)F)NC(=O)C4(CC4)c5ccc6c(c5)OC(O6)(F)F

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown


CID is 121301270
synonyms found at PubChem are:
SCHEMBL17708955, ZQUKOPGOGYBHSM-TZIWHRDSSA-N, 3-[(2R,4R)-4-({[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl}amino)-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]benzoic acid


ID: 3074

chemical graph of compound 3074



InChIKey: ZTTHLXXJDFDDCO-UHFFFAOYSA-N
SMILES: C1CNC(=O)C2[NH0]C=CC=2C=1

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

"E Matthes" "JW Hanrahan" "Q Yang" "R Solari" "CM Edge" "R Hatley" "R Robert" "V Birault" "GW Carlile" "R Andersen" "DY Thomas"



ID: 3075

chemical graph of compound 3075



InChIKey: ZYQUNSPONPGRBK-UHFFFAOYSA-N
SMILES: C(F)1=CC=C(C(=O)OC2=CC(OC(=C)C3=CC=C(F)C=C3)=C(C(=O)C)C=C2)C=C1

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

reference list:

"MF Springsteel" "M Eda" "MJ Kurth" "LJ Galietta" "MH Nantz" "EJ Niedzinski" "MJ Haddadin" "K By" "AS Verkman"



ID: 3076

chemical graph of compound 3076



InChIKey: ALYNCZNDIQEVRV-UHFFFAOYSA-N
SMILES: C1=CC(=CC=C1C(=O)O)N

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"JS Hong" "MJ Suto" "SM Rowe" "KM Keeling" "M Mense" "L Rasmussen" "E Falk Libby" "M Mazur" "DM Bedwell" "H Shang" "EL White" "B Liu" "X Xue" "M Du" "JR Bostwick" "F Liang" "V Mutyam"


CID is 978
synonyms found at PubChem are:
4-aminobenzoic acid, 150-13-0, p-aminobenzoic acid, PABA, para-aminobenzoic acid, Vitamin BX, AMINOBENZOIC ACID, p-Carboxyaniline, 4-Carboxyaniline, Sunbrella, Benzoic acid, 4-amino-, p-Carboxyphenylamine, Hachemina, Paraminol, 1-Amino-4-carboxybenzene, Pabacyd, Pabafilm, Pabamine, Paranate, Amben, Potaba, Romavit, Bacterial vitamin H1, Vitamin H', Anticanitic vitamin, Chromotrichia factor, RVPaba Lipstick, Papacidum, Rvpaba, Trichochromogenic factor, Anti-chromotrichia factor, Super Shade by Coppertone, Benzoic acid, p-amino-, Acidum paraminobenzoicum, ABEE, Pabagel, Pabanol, 4-AMINO-BENZOIC ACID, Caswell No. 033B, Kyselina p-aminobenzoova, MFCD00007894, Vitamin H1, p-Aminobenzoesaeure, 4-Aminobenzoesaeure, 4-aminobenzoic-acid, 4-Carboxyphenylamine, Acido p-aminobenzoico, PAB, gamma-Aminobenzoic acid, benzoic acid, 4-amino, Acido p-aminobenzoico [Italian], UNII-TL2TJE8QTX, Kyselina p-aminobenzoova [Czech], para-aminobenzoate, Anticantic vitamin, EPA Pesticide Chemical Code 233300, BRN 0471605, p-amino benzoic acid, p-amino-Benzoic acid, CHEBI:30753, AI3-02436, TL2TJE8QTX, Aminobenzoic acid (USP), Aminobenzoic acid [USP], .gamma.-Aminobenzoic acid, Aniline-4-carboxylic acid, CHEMBL542, 4-Aminobenzoic acid, 99%, H-4-ABZ-OH, AMINOBENZOIC ACID, PARA, NCGC00091051-01, 4-aminobenzoicacid, DSSTox_CID_4466, DSSTox_RID_77411, DSSTox_GSID_24466, CAS-150-13-0, SMR000471833, CCRIS 6209, HSDB 6840, NSC 7627, EINECS 205-753-0, Actipol, p-carboxy aniline, p-aminobezoic acid, gamma-Aminobenzoate, 4-aminobezoic acid, Trochromogenic factor, Aniline-4-carboxylate, 161406-19-5, 4-Amino benzoic acid, 4-(amino)benzoic acid, Antichromotrichia factor, PubChem13422, Spectrum_000036, RVPaba lipstick (TN), P-AMINO-BENZOATE, Spectrum2_000123, Spectrum3_000294, Spectrum4_000142, Spectrum5_000778, Tetracaine EP Impurity A, P-Aminobenzoic Acid,(S), ACMC-209d3t, bmse000066, bmse000887, bmse000916, Epitope ID:115017, H-(4)Abz-OH, AMINOBENZOIC-4 ACID, EC 205-753-0, SCHEMBL8249, Oprea1_221096, BSPBio_001828, KBioGR_000584, KBioSS_000396, ZINC920, MLS001066325, MLS001335919, MLS001335920, Para Amino Benzoic Acid USP, BIDD:ER0375, DivK1c_000783, SPBio_000166, PARA AMINO BENZOIC ACID, 4-Aminobenzoic acid-[13C6], RARECHEM AL BO 0238, component of Presun (Salt/Mix), DTXSID6024466, SCHEMBL13232108, KBio1_000783, KBio2_000396, KBio2_002964, KBio2_005532, KBio3_001328, NSC7627, NINDS_000783, OTAVA-BB 1509951, P-AMINOBENZOIC ACID 100G, 150-13-0 4-aminobenzoic acid, HMS2269E10, HMS3870E13, LABOTEST-BB LTBB000459, WT266, ACT09225, HY-B1008, NSC-7627, Tox21_111069, Tox21_201702, Tox21_300087, ANW-21255, BDBM50145829, LABOTEST-BB LT03328355, s4510, SBB058665, STK397441, AKOS000118983, Tox21_111069_1, AC-8107, AM86626, AS00762, CCG-266139, CS-4505, DB02362, MCULE-3535374816, IDI1_000783, 4-Aminobenzoic acid, analytical standard, NCGC00091051-02, NCGC00091051-03, NCGC00091051-04, NCGC00253923-01, NCGC00259251-01, AK-41178, AS-12493, NCI60_041683, SY003749, SBI-0051277.P003, DB-028695, 4-Aminobenzoic acid, ReagentPlus(R), 99%, A0269, FT-0617557, ST50632536, 4-Aminobenzoic acid, >=98.0% (HPLC/NT), 3297-EP2308861A1, 3297-EP2308868A1, 3297-EP2311809A1, 4-Aminobenzoic acid, ReagentPlus(R), >=99%, 6761-EP1441224A2, 6761-EP2295402A2, C00568, D02456, Q-9193, 48316-EP2281563A1, 48316-EP2308874A1, 48316-EP2311494A1, Q284959, 4-Aminobenzoic acid, Vetec(TM) reagent grade, 98%, Q-200432, 4-Aminobenzoic acid, purified by sublimation, >=99%, Z57127446, 4-Aminobenzoic acid, 98.5-100.2%, SAJ first grade, 4-Aminobenzoic acid, SAJ special grade, 99.5-100.2%, F2191-0259, 4A5E7DD8-8A22-4642-86BF-05B778C0C78E, 4-Aminobenzoic acid, European Pharmacopoeia (EP) Reference Standard, Aminobenzoic acid, United States Pharmacopeia (USP) Reference Standard, Aminobenzoic Acid, Pharmaceutical Secondary Standard; Certified Reference Material


ID: 3077

chemical graph of compound 3077



InChIKey: AOJJSUZBOXZQNB-UHFFFAOYSA-N
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"JS Hong" "MJ Suto" "SM Rowe" "KM Keeling" "M Mense" "L Rasmussen" "E Falk Libby" "M Mazur" "DM Bedwell" "H Shang" "EL White" "B Liu" "X Xue" "M Du" "JR Bostwick" "F Liang" "V Mutyam"


CID is 1691
synonyms found at PubChem are:
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, NSC169534, 56420-45-2, DOXORUBICIN HYDROCHLORIDE LIPOSOME, Triferric doxorubicin, Adriamycin semiquinone, GNF-Pf-2453, 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-, 7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, NCI-C01514, FI 106, NSC-169534, 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-, mixt. with native calf thymus DNA, NDC 38242-874, ADR (Salt/Mix), Adriamycin Fe3Cl10 H, DOX HCl (Salt/Mix), NSC-123127, NSC-267703, Neuro_000057, Neuro_000121, Adriamycin-DNA hydrochloride, SCHEMBL233853, CHEMBL263733, CHEBI:91872, 3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside, ADM, Adriamycin hydrochloride (Salt/Mix), Doxorubicin hydrochloride (Salt/Mix), FI-106, NSC267703, NSC272332, NSC272707, NSC272708, NSC302662, NSC303830, NSC303831, NSC307242, NSC307243, NSC321796, STK397071, STL484194, AKOS005434002, MCULE-1987806380, NSC-272332, NSC-272707, NSC-272708, NSC-302662, NSC-303830, NSC-303831, NSC-307242, NSC-307243, NSC-321796, FT-0601614, FT-0630692, FT-0656147, BRD-A76941896-001-01-6, BRD-A76941896-003-01-2, BRD-A76941896-003-02-0, Q27163668, (8S,10S)-10-[(3-Amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione, 3,6,11-trihydroxy-3-(hydroxyacetyl)-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside, 3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-L-lyxo-hexopyranoside, (1S,3S)-, 3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxyhexopyranoside, 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-, polymer with starch 2-hydroxyethyl ether, 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-, Aluminate(1-), hydrogen, compd. with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione (1:1), Cellulose, polymer with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione, Dextran,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione, Ferrate (1-),3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione]decachlorotri-, hydrogen, (8S-cis), Ferrate(1-),3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione]decachlorotri-, hydrogen, (8S-cis)-, Nucleic acid, sodium salt, compd. with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione hydrochloride, Nucleic acid, sodium salt, compound with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione hydrochloride, Starch, polymer with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione


ID: 3079

chemical graph of compound 3079



InChIKey: CCUBJOCYQZTYNE-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(N(C2(CCCCC2))CCO)SC=3))C)NC(=O)C(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155553069
synonyms found at PubChem are:
CHEMBL4544312, BDBM50506065


ID: 3080

chemical graph of compound 3080



InChIKey: DBGTUHVUTOSJOJ-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(NC2(=CC(C(=O)O)=CC=C2))SC=3))C)NC(=O)C(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155535344
synonyms found at PubChem are:
CHEMBL4471507, BDBM50506077


ID: 3081

chemical graph of compound 3081



InChIKey: DZTWMQXAKJUHAQ-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NCCCC(=O)O)SC=2))C)NC(=O)C(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155518838
synonyms found at PubChem are:
CHEMBL4446939, BDBM50506067


ID: 3082

chemical graph of compound 3082



InChIKey: FNPXMHRZILFCKX-UHFFFAOYSA-N
SMILES: CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"JS Hong" "MJ Suto" "SM Rowe" "KM Keeling" "M Mense" "L Rasmussen" "E Falk Libby" "M Mazur" "DM Bedwell" "H Shang" "EL White" "B Liu" "X Xue" "M Du" "JR Bostwick" "F Liang" "V Mutyam"


CID is 52421
synonyms found at PubChem are:
PREDNICARBATE, 73771-04-7, [2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate, SCHEMBL1650745, BCP33443, CP0118, AKOS015896518, Hoe 777; Hoe-777;Dermatop;Regemt, DB-055800, FT-0630823, 2-[(4-FLUOROBENZOYL)AMINO]-3-(1H-INDOL-3-YL)PROPANOICACID, [2-(17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] propanoate


ID: 3083

chemical graph of compound 3083



InChIKey: GHTGYZMBQPXTCQ-UHFFFAOYSA-N
SMILES: CC1(CC2=C(C(O1)(C)C)SC(=C2C(=O)N)NC(=O)C3=CC=NN3)C

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"HI Yeh" "K Conrath" "L Qiu" "TC Hwang" "X Zou" "Y Sohma"


CID is 117857370
synonyms found at PubChem are:
GLPG1837, 1654725-02-6, N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide, GLGP1837, CHEMBL4075348, SCHEMBL16444982, GLPG 1837, BCP23611, EX-A1819, BDBM50246760, s8698, ABBV-974; GLPG-1837, GLPG-1837(ABBV-974), CCG-268014, BS-15598, HY-111099, AK00778999, CS-0034220, EC-000.2515, Q29207083, CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1, LJP


ID: 3084

chemical graph of compound 3084



InChIKey: IAKHMKGGTNLKSZ-UHFFFAOYSA-N
SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"JS Hong" "MJ Suto" "SM Rowe" "KM Keeling" "M Mense" "L Rasmussen" "E Falk Libby" "M Mazur" "DM Bedwell" "H Shang" "EL White" "B Liu" "X Xue" "M Du" "JR Bostwick" "F Liang" "V Mutyam"


CID is 2833
synonyms found at PubChem are:
64-86-8, Colchine, (R/S)-Colchicine, CHEBI:23359, (S)-(-)-colchicine, 209810-38-8, N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide, 54192-66-4, Acetamide,N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-, COLCHICINE, (+)-, Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-, Colchicine-[d3], CHEMBL87, (S)-Colchicine >95%, (+-)-COLCHICINE, Epitope ID:141498, Neuro_000002, MLS001181527, SCHEMBL675246, DTXSID20274387, HMS2875H17, HMS3267B14, HMS3414L21, HMS3678L19, BCP09065, AC-281, BBL010108, CC0177, CCG-46868, SBB079703, STK801462, AKOS003381878, AKOS016374434, DB01394, MCULE-7902106432, NE55304, NCGC00094629-01, NCGC00094629-02, NCGC00094629-03, NCGC00094629-04, NCGC00094629-05, NCGC00094629-06, NCGC00094629-08, AS-14691, M205, SMR000567246, ST056390, DB-054740, FT-0665155, FT-0665156, AB00830494-06, 064T868, Q326224, J-013744, SR-01000636539-1, BRD-A46684810-001-04-6, Z1431321925, 1,2,3,10-Tetramethoxy-7-(acetylamino)-5,6,7,9-tetrahydrobenzo[a]heptalene-9-one, Benzo[a]heptalen-9(5H)-one,7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-, N-((7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7-trihydrobenzo[d]heptalen-7-yl)acetam ide, N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide, N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide #, N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7-trihydrobenzo[d]heptalen-7-yl)acetamide, 2,2,2-trideuterio-N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(trideuteriomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0?,?]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamide, N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0^{2,7}]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl}acetamide


ID: 3085

chemical graph of compound 3085



InChIKey: IGEOJNMYRZUKIK-IBGZPJMESA-N
SMILES: C[C@H]1CC(N(C1)C2=C(C=CC(=N2)N3C=CC(=N3)OCCC4(CC4)C(F)(F)F)C(=O)NS(=O)(=O)C5=CC=CC=C5)(C)C

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Marigowda" "JL Taylor-Cousar" "D Waltz" "CM McKee" "E Tullis" "J Savage" "SM Moskowitz" "SM Rowe" "BW Ramsey" "F Xuan" "EF McKone" "MA Mall"


CID is 134393443
synonyms found at PubChem are:
Bamocaftor, VX-659, 2204245-48-5, VX659, UNII-8C7XEW3K7S, 8C7XEW3K7S, Bamocaftor (USAN), Bamocaftor [USAN], (S)-N-(phenylsulfonyl)-6-(3-(2-(1-(trifluoromethyl)cyclopropyl)ethoxy)-1H-pyrazol-1-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)nicotinamide, VX 659 pound>>VX659, CHEMBL4297849, SCHEMBL20023905, GTPL10553, BCP29456, EX-A2947, WHO 11167, DB15177, compound 1 [WO2018064632A1], D11535, 3-Pyridinecarboxamide, N-(phenylsulfonyl)-6-(3-(2-(1-(trifluoromethyl)cyclopropyl)ethoxy)-1H-pyrazol-1-yl)-2-((4S)-2,2,4-trimethyl-1-pyrrolidinyl)-, N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, N-(phenylsulfonyl)-6-(3-(2-(1-(trifluoromethyl)cyclopropyl)ethoxy)-1H-pyrazol-1-yl)-2-(2,2,4-trimethyl-1-pyrrolidinyl)nicotinamide


ID: 3086

chemical graph of compound 3086



InChIKey: JCRJFYZSIFGDIG-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NCCO)SC=2))C)NC(=O)C(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155565175
synonyms found at PubChem are:
CHEMBL4580215, BDBM50506060


ID: 3087

chemical graph of compound 3087



InChIKey: JIMHYXZZCWVCMI-UHFFFAOYSA-N
SMILES: C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S)C(F)(F)F

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"M Gentzsch" "SH Randell" "R Schlegel" "H Dang" "X Liu" "C Cheluvaraju" "SE Boyles" "IG Chaudhry" "C Cho" "NL Quinney"


CID is 504670
synonyms found at PubChem are:
CFTRinh-172, CFTR(inh)-172, 307510-92-5, 4-[[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid, 4-({4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl)benzoic acid, CBMicro_044684, (inh)-172, SCHEMBL919042, GTPL4153, CHEBI:131686, HMS3653A11, 4-[(Z)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid, BCP15834, MCULE-9803633016, AK391459, FT-0677541, cystic fibrosis transmembrane regulator inhibitor 172, Q27075883, Cystic fibrosis transmembrane conductance regulator inhibitor CFTR(inh)-172, 3-[(3-trifluoromethyl)phenyl]-5-[(3-carboxyphenyl)methylene]-2-thioxo-4-thiazolidinone, 4-[[4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-5-thiazolidinylidene]methyl]-benzoic acid


ID: 3088

chemical graph of compound 3088



InChIKey: JWENNUJIMLMAJH-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NC(=O)C=C)SC=2))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155528709
synonyms found at PubChem are:
CHEMBL4461468, BDBM50506070


ID: 3089

chemical graph of compound 3089



InChIKey: KHNUPLUQJFLSLN-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(N(C2(=CC(C(=O)C)=CC=C2))CCO)SC=3))C)NC(=O)C(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155560887
synonyms found at PubChem are:
CHEMBL4574818, BDBM50506073


ID: 3090

chemical graph of compound 3090



InChIKey: MBMBGCFOFBJSGT-UHFFFAOYSA-N
SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"V Fainardi" "R Pisi" "P Risé" "A Sala" "E Teopompi" "E Clini" "G Pisi" "C Buccellati" "A Chetta" "C Tripodi" "GE Rovati" "M Aiello"


CID is 3144
synonyms found at PubChem are:
6217-54-5, DHA;Cervonic Acid, cis-4,7,10,13,16,19-Docosahexaenoic acid, 4,7,10,13,16,19-Docosahexaenoic acid, (4Z,7Z,10Z,13Z,16Z,19Z)-, 124020-09-3, cis-4,7,13,16,19-docosahexaenoic acid, 4,7,10,13,16,19-Docosahexaenoic acid, ACMC-20mqw5, ACMC-209n0b, CBiol_001946, KBioGR_000018, KBioSS_000018, KBio2_000018, KBio2_002586, KBio2_005154, KBio3_000035, KBio3_000036, Bio1_000232, Bio1_000721, Bio1_001210, Bio2_000018, Bio2_000498, ANW-34089, 4,7,10,13,16,19-Docosahexaenoicacid, (4Z,7Z,10Z,13Z,16Z,19E)-, AKOS028109045, 4,7,10,13,16,19-docosahexenoic acid, DB-054085, FT-0623913, FT-0667760, 4Z,7Z,10Z,13Z,16Z,19Z-DOCOSAHEXAENOIC-21,21,22,22,22-D5 ACID


ID: 3091

chemical graph of compound 3091



InChIKey: MJUVRTYWUMPBTR-MRXNPFEDSA-N
SMILES: CC(C)(CO)C1=CC2=CC(=C(C=C2N1C[C@H](CO)O)F)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"JP Jais" "M Thumerel" "M Fayon" "A Hinzpeter" "J Mazenq" "N Stremler-Le Bel" "E Girodon-Boulandet" "A Carsin" "F Le Pimpec-Barthes" "IM Pranke" "A Edelman" "P Bonnette" "V Urbach" "A Hatton" "D Grenet" "M Mesbahi" "J Simonin" "I Sermet-Gaudelus"


CID is 46199646
synonyms found at PubChem are:
Tezacaftor, VX-661, 1152311-62-0, (R)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, Tezacaftor (VX-661), VX661, VX 661, UNII-8RW88Y506K, 8RW88Y506K, cyclopropanecarboxamide, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-n-[1-[(2r)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxy-1,1-dimethylethyl)-1h-indol-5-yl]-, C26H27F3N2O6, Tezacaftor [USAN], 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide, 1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)-N-{1-[(2R)-2,3-DIHYDROXYPROPYL]-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)INDOL-5-YL}CYCLOPROPANE-1-CARBOXAMIDE, Cyclopropanecarboxamide, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(1-((2R)-2,3-dihydroxypropyl)-6-fluoro-2-(2-hydroxy-1,1-dimethylethyl)-1H-indol-5-yl)-, Tezacaftor (USAN/INN), SCHEMBL322362, VX 661;VX661;Tezacaftor, CHEMBL3544914, SCHEMBL10034144, GTPL10199, DTXSID40673070, BDBM281054, BCP07173, EX-A1759, MFCD23106064, s7059, US10022352, Compound 315, ZINC68206930, CCG-269854, CS-1078, DB11712, PB30512, 1-(2,2-Difluoro-2H-1,3-benzodioxol-5-yl)-N-{1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl}cyclopropane-1-carboxamide, AC-32773, AK172569, AS-35211, HY-15448, QC-11636, example 315 [US20090131492A1], SW219937-1, Y0430, D11041, Q-4067, Q27270940, (R)-1 (2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, (R)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropane-1-carboxamide, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-~{N}-[1-[(2~{R})-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(1-((2R)-2,3-dihydroxypropyl)-6-fluoro-2-(2-hydroxy-1,1-dimethylethyl)-1H-indol-5-yl)cyclopropanecarboxamide, 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxy-1,1-dimethylethyl)-1H-indol-5-yl]-cyclopropanecarboxamide


ID: 3092

chemical graph of compound 3092



InChIKey: MJUVRTYWUMPBTR-UHFFFAOYSA-N
SMILES: CC(C)(CO)C1=CC2=CC(=C(C=C2N1CC(CO)O)F)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"
"JS Hong" "EJ Sorscher" "G Cui" "NA McCarty" "BB Stauffer" "BR Imhoff" "A Rab"
"G Marigowda" "JL Taylor-Cousar" "D Waltz" "CM McKee" "E Tullis" "J Savage" "SM Moskowitz" "SM Rowe" "BW Ramsey" "F Xuan" "EF McKone" "MA Mall"
"JL Taylor-Cousar" "C McKee" "CK van der Ent" "LT Wang" "A Moeller" "JS Elborn" "EP Ingenito" "A Munck" "EF McKone" "C Simard" "J Lekstrom-Himes" "Y Lu"
"NE West" "K Montemayor" "AT Claudio" "S Carson" "N Lechtzin" "MS Christianson"
"JC Davies" "JA Lekstrom-Himes" "E Tullis" "JM Pilewski" "J Cooke" "LT Wang" "Group. VX11-661-101 Study" "M Griese" "SH Donaldson" "L Viswanathan"
"P Jordan" "AM Matos" "CA Loureiro" "P Matos" "CM Farinha" "JD Santos" "FR Pinto"


CID is 46199801
synonyms found at PubChem are:
Tezacaftor (Racemate), SCHEMBL322363, HMS3652D20, HMS3748O05, AKOS026750399, NCGC00389346-01, 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-Methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxaMide, 1226709-85-8, DA-47741, CS-0009162, FT-0772351, 1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)-N-[1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)INDOL-5-YL]CYCLOPROPANE-1-CARBOXAMIDE


ID: 3093

chemical graph of compound 3093



InChIKey: MVRHVFSOIWFBTE-INIZCTEOSA-N
SMILES: C[C@H]1CC(N(C1)C2=C(C=CC(=N2)N3C=CC(=N3)OCC(C)(C)C(F)(F)F)C(=O)NS(=O)(=O)C4=CN(N=C4C)C)(C)C

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Marigowda" "JL Taylor-Cousar" "D Waltz" "CM McKee" "E Tullis" "J Savage" "SM Moskowitz" "SM Rowe" "BW Ramsey" "F Xuan" "EF McKone" "MA Mall"


CID is 134587348
synonyms found at PubChem are:
Elexacaftor, 2216712-66-0, VX-445, UNII-RRN67GMB0V, RRN67GMB0V, Elexacaftor (USAN), Elexacaftor [USAN], (S)-N-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)nicotinamide, 3-Pyridinecarboxamide, N-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)-2-((4S)-2,2,4-trimethyl-1-pyrrolidinyl)-, Elexacaftor (VX-445), CHEMBL4298128, SCHEMBL20239811, GTPL10552, EX-A3637, N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, s8851, WHO 11180, DB15444, Compound 1 [WO2018107100A1], HY-111772, CS-0090942, D11507


ID: 3094

chemical graph of compound 3094



InChIKey: MVRHVFSOIWFBTE-UHFFFAOYSA-N
SMILES: CC1CC(N(C1)C2=C(C=CC(=N2)N3C=CC(=N3)OCC(C)(C)C(F)(F)F)C(=O)NS(=O)(=O)C4=CN(N=C4C)C)(C)C

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"NE West" "K Montemayor" "AT Claudio" "S Carson" "N Lechtzin" "MS Christianson"


CID is 134606452
synonyms found at PubChem are:
SCHEMBL20261106, (R)-N-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)nicotinamide, BCP29711, N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide


ID: 3095

chemical graph of compound 3095



InChIKey: NTZREEWWCNFIMJ-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NC(=O)CC)SC=2))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155561108
synonyms found at PubChem are:
CHEMBL4566690, BDBM50506071


ID: 3096

chemical graph of compound 3096



InChIKey: OJTQULAMLNBGOY-UHFFFAOYSA-N
SMILES: CC(C(C)OC(=O)C)C(=O)OCC12C3CC(C(C1O)OC2CC4(C3=CCC5C4(CCC6C5(CCC(C6(C)CO)OC7C(C(C(C(O7)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(CO9)O)O)O)C)C)C)(C)C.[Na+]

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"JS Hong" "MJ Suto" "SM Rowe" "KM Keeling" "M Mense" "L Rasmussen" "E Falk Libby" "M Mazur" "DM Bedwell" "H Shang" "EL White" "B Liu" "X Xue" "M Du" "JR Bostwick" "F Liang" "V Mutyam"


CID is 78302531
synonyms found at PubChem are:
Sodium aescinate, Sodium?Aescinate, 20977-05-3


ID: 3097

chemical graph of compound 3097



InChIKey: OUGLISSDQZYBGK-ZHRRBRCNSA-N
SMILES: c1ccc(c(c1)[C@@H](c2cnc(s2)NC(=O)C3(CC3)c4ccc5c(c4)OCO5)N6CC[C@H](C6)O)Cl

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"FE Uhl" "H Wan" "FA Malik" "A Meissner" "M Sumiyoshi" "A Momen" "A Adel" "PH Backx" "L Vanherle" "SP Heximer" "D Lidington" "H Zhang" "DD Dinh" "M Sauvé" "JC Fares" "M Husain" "RL Macdonald" "R Aschar-Sobbi" "SS Bolz" "JT Kroetsch" "F Matthes" "WD Foltz"


CID is 45480521
synonyms found at PubChem are:
SCHEMBL5118601, DTXSID80919020, ZINC116862995, 1-(1,3-benzodioxol-5-yl)-N-[5-[(S)-(2-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide, 1-(2H-1,3-Benzodioxol-5-yl)-N-{5-[(2-chlorophenyl)(3-hydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl}cyclopropane-1-carboximidic acid


ID: 3098

chemical graph of compound 3098



InChIKey: PCCRSEBWEGGETI-UHFFFAOYSA-N
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4Cl

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"PA Negulescu" "RA Frizzell" "M Miller" "F Van Goor" "B Burton" "JJ Wine" "CJ Decker" "KS Straley" "J McCartney" "M Ashlock" "ER Olson" "PD Grootenhuis" "S Hadida" "JH Stack"


CID is 1640986
synonyms found at PubChem are:
CHEMBL4176184, N-[5-(2-Chloro-benzyl)-thiazol-2-yl]-2,2-diphenyl-acetamide, N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide, 5325-06-4, Oprea1_174969, Oprea1_394381, SCHEMBL235126, DTXSID00364674, ZINC1908494, BDBM50289535, STK952039, AKOS000627830, N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide, MCULE-2251783088, ST50006732, SR-01000401576, SR-01000401576-1, N-[5-(2-Chloro-benzyl)-thiazol-2-yl]-2,2-diphenyl -acetamide, N-{5-[(2-chlorophenyl)methyl](1,3-thiazol-2-yl)}-2,2-diphenylacetamide, 303791-98-2


ID: 3099

chemical graph of compound 3099



InChIKey: PGPPITSUVBAOTE-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NCCO)SC=2))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 11220250
synonyms found at PubChem are:
CHEMBL4556068, SCHEMBL4528106, BDBM50506069, N-[5-[2-(2-hydroxyethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide


ID: 3100

chemical graph of compound 3100



InChIKey: PPTPXEJJDHXBKP-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NCC(=O)O)SC=2))C)NC(=O)C(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155521426
synonyms found at PubChem are:
CHEMBL4450239, BDBM50506066


ID: 3101

chemical graph of compound 3101



InChIKey: QAVVZXNUWOEKCV-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(N(C2(CCCCC2))C)SC=3))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155526648
synonyms found at PubChem are:
CHEMBL4458933, BDBM50506078


ID: 3102

chemical graph of compound 3102



InChIKey: QJYUHPGRNQQGGG-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(NC2(CCCCC2))SC=3))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 11348293
synonyms found at PubChem are:
CHEMBL4465048, SCHEMBL4523451, BDBM50506074, N-[5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide


ID: 3103

chemical graph of compound 3103



InChIKey: VMMNKJYKNQCTSD-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(NC2(CCC(C)CC2))SC=3))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155545735
synonyms found at PubChem are:
CHEMBL4529879, BDBM50506068


ID: 3104

chemical graph of compound 3104



InChIKey: VXNBNOYDTNSYQP-UHFFFAOYSA-N
SMILES: [Br]CC(=O)NC=1(SC=C(N=1)C=2(SC(NC(=O)C)=NC=2C))

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155567806
synonyms found at PubChem are:
CHEMBL4590346, BDBM50506072


ID: 3105

chemical graph of compound 3105



InChIKey: WMBWREPUVVBILR-UHFFFAOYSA-N
SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"V Raia" "A Tosco" "VR Villella" "G Kroemer" "L Maiuri" "M Piacentini"


CID is 1287
synonyms found at PubChem are:
TEA polyphenol, 84650-60-2, Gallocatechin gallate, CHEMBL311663, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate, 107965-88-8, epigallocatechol-3-gallate, (+)-epigallocatechin gallate, SCHEMBL161547, ChEMBL_134784, HMS3393K21, HMS3426I15, HMS3651I16, HMS3868K03, BCP28205, BBL033816, BDBM50093882, STL372995, AKOS025248011, CCG-269314, MCULE-9752626908, NCGC00095722-01, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate, AK165605, VS-12292, FT-0604392, FT-0686614, (?)-cis-3,3',4',5,5',7-Hexahydroxy-flavane-3-gallate, (?)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate, [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate, 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate, 2-(3,4,5-Trihydroxyphenyl)-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-1-benzopyran-5,7-diol, 3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-yl ester


ID: 3106

chemical graph of compound 3106



InChIKey: WWUPCEYMTCIFHX-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NCCO)SC=2))C)NC(=O)OC(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155518122
synonyms found at PubChem are:
CHEMBL4445768, BDBM50506064


ID: 3107

chemical graph of compound 3107



InChIKey: XGZWWMRJMWUREF-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NCCC(=O)O)SC=2))C)NC(=O)C(C)(C)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155561063
synonyms found at PubChem are:
CHEMBL4574879, BDBM50506075


ID: 3108

chemical graph of compound 3108



InChIKey: XTWGHYUHSFTZLL-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(N(C2(CCCCC2))CCO)SC=3))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155511230
synonyms found at PubChem are:
CHEMBL4435663, BDBM50506063


ID: 3109

chemical graph of compound 3109



InChIKey: YKUQEKXHQFYULM-UHFFFAOYSA-N
SMILES: COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C(=C4)CN5CCCC5)O)CN6CCCC6.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"JS Hong" "MJ Suto" "SM Rowe" "KM Keeling" "M Mense" "L Rasmussen" "E Falk Libby" "M Mazur" "DM Bedwell" "H Shang" "EL White" "B Liu" "X Xue" "M Du" "JR Bostwick" "F Liang" "V Mutyam"


CID is 156867
synonyms found at PubChem are:
Pyronaridine Tetraphosphate, 76748-86-2, Pyranoridine phosphate, Pyronaridine phosphate, UNII-2T289F9ACO, Pyranoridine tetraphosphate, 2T289F9ACO, MFCD05863545, C29H32ClN5O2.4H3O4P, Pyranaridine tetraphosphate, Phenol, 4-((7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)-2,6-bis(1-pyrrolidinylmethyl)-, phosphate (1:4), CHEMBL2095224, DTXSID00998059, HMS3264M16, BCP21166, EX-A2856, 8231AH, HY-14749A, AKOS030255097, AKOS030504480, CCG-213813, MCULE-6402927174, QC-8193, 4-((7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino)-2,6-bis(pyrrolidin-1-ylmethyl)phenol tetrakis(phosphate), AT-19508, CS-0028971, Pyronaridine tetraphosphate, >=95% (HPLC), 748P862, Q27255560, 2-Methoxy-7-chloro-10[3',5'-bis(pyrrolidinyl-1-methyl-)4'-hydroxyphenyl]aminobenzyl-(b)-1,5-naphthyridine tetraphosphate, 4-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-ylamino)-2,6-bis(pyrrolidin-1-ylmethyl)phenol tetrakis(phosphate), 4-[(7-chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one,phosphoric acid, Phosphoric acid--4-[(7-chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2,6-bis[(pyrrolidin-1-yl)methyl]cyclohexa-2,5-dien-1-one (4/1)


ID: 3110

chemical graph of compound 3110



InChIKey: YPHMISFOHDHNIV-UHFFFAOYSA-N
SMILES: CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"JS Hong" "MJ Suto" "SM Rowe" "KM Keeling" "M Mense" "L Rasmussen" "E Falk Libby" "M Mazur" "DM Bedwell" "H Shang" "EL White" "B Liu" "X Xue" "M Du" "JR Bostwick" "F Liang" "V Mutyam"


CID is 2900
synonyms found at PubChem are:
Isocycloheximide, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione, Acti-Dione, 6746-42-5, Actidione;Naramycin A;CHX, D-Isocycloheximide, Cyclohemimide, Cyclohexamide, Aktidion, Actidione TGF, Caswell No. 504C, 4-(2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)piperidine-2,6-dione, EPA Pesticide Chemical Code 374700, Glutarimide, 3-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, (Cycloheximide CHX), (+)-3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide, Glutarimide, 3-(2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)-, (+)-, CHEMBL225699, MEGxm0_000238, SCHEMBL1714687, 4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione, ACon0_000589, ACon1_002312, CHEBI:91792, HMS3267I17, Naramycin A; NSC 185;Actidione, 2,6-Piperidinedione, 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-, ALBB-023622, BCP28121, STL570292, AKOS015900576, MCULE-9492252513, NCGC00169964-01, NCGC00169964-02, NCGC00169964-03, NCGC00169964-04, 17280-60-3, DB-054964, R1151, BRD-A62184259-001-01-0, BRD-A62184259-001-02-8, Q27163592, 3-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl] glutarimide, 2,6-piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, 3-[(2R)-2-[(1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]glutarimide, NCGC00169964-06!4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione, 2,6-Piperidinedione, 4-((2R)-2-((1R,3R,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)-, 2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, [1S-[1.alpha.(S*),3.alpha.,5.beta.]]-, 4-((2R)-2-((1S,3S,5S)-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)-2,6-piperidinedione


ID: 3111

chemical graph of compound 3111



InChIKey: YQCGOSZYHRVOFW-UHFFFAOYSA-N
SMILES: CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O.CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"GJ Connett"
"JH Jang" "A Panariti" "MJ O'Sullivan" "C Wong" "AM Lauzon" "JG Martin" "M Pyrch"
"L Froux" "C Coraux" "F Becq" "E Sage"


CID is 71494926
synonyms found at PubChem are:
Orkambi, Lumacaftor / Ivacaftor, Lumacaftor and ivacaftor, Lumacaftor and ivacaftor tablet, SCHEMBL19410545, VX 700-VX 809 combination, VX 809-VX 770 combination, Ivacaftor mixture with lumacaftor, Lumacaftor, ivacaftor drug combination, S900006790, 1815566-23-4


ID: 3112

chemical graph of compound 3112



InChIKey: ZAAVGWLFVJKADF-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=3(N=C(N(C2(=CC(C(=O)C)=CC=C2))CCO)SC=3))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155546020
synonyms found at PubChem are:
CHEMBL4531023, BDBM50506062


ID: 3113

chemical graph of compound 3113



InChIKey: ZACBDYXCOJIDOO-UHFFFAOYSA-N
SMILES: S(=O)(=O)(NC=1(SC=C(N=1)C=2(SC(NC(=O)C)=NC=2C)))C=C

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155567860
synonyms found at PubChem are:
CHEMBL4589961


ID: 3114

chemical graph of compound 3114



InChIKey: ZEQRQXRPMGQNBI-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NCCO)SC=2))C)NC(=O)C3(=CC=CC=C3))

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"


CID is 155519200
synonyms found at PubChem are:
CHEMBL4447091, BDBM50506076


ID: 3078

chemical graph of compound 3078



InChIKey: BHNLPHFGIMIKBX-UHFFFAOYSA-N
SMILES: S1(C(=NC(=C1C=2(N=C(NC(=O)C=CC(C)C)SC=2))C)NC(=O)C)

biological descriptors:

CFTR relevance: to be classified

Category:
Influence on CFTR function to be classified
Order of interaction to be classified
subcellular compartment to be classified

reference list:

"G Fontò" "G Maga" "C Mirabelli" "P Vergani" "C Giorgio" "E Crespan" "K Lanko" "E Dreassi" "G Tagliavini" "M Kissova" "C Zamperini" "L Delang" "E Langron" "S Palese" "M Radi" "A Mancini" "S Bertoni" "L Ragionieri" "J Neyts" "F Ravanetti" "S Tassini"