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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.


Sondo E et. al. 2011 (paper)
Rescue of the mutant CFTR chloride channel by pharmacological correctors and low temperature analyzed by gene expression profiling.
American journal of physiology. Cell physiology, page C872-85, volume 301, issue 4, year 2011
"E Caci" "U Pfeffer" "AI Esposito" "V Tomati" "LJ Galietta" "E Sondo" "N Pedemonte"
DOI: 10.1152/ajpcell.00507.2010
PMID: 21753184


Reference Into Function: A screening of a small-molecule library identified 9-aminoacridine and ciclopirox, which were significantly more effective than corr-4a and VRT-325. […] These conflicting data appeared to be correlated with different gene expression signatures generated by these treatments in the cell line and in primary bronchial epithelial cells.



Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=5

ID: 3
InChIKey: FJNFVCAHHFNREI-UHFFFAOYSA-N
SMILES: CC(C1=NC2=CC=CC=C2C(=N1)OC3CCCCC3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC

biological descriptors:

CFTR relevance: CFTR corrector

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

chemical graph of compound 3


CID is 11957831 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/11957831

CID is 11957831
synonyms found at PubChem are:
815592-21-3, 4-(cyclohexyloxy)-2-(1-(4-[(4-methoxybenzene)sulfonyl]piperazin-1-yl)ethyl)quinazoline, CFcor-325, VRT-325, 4-(Cyclohexyloxy)-2-(1-(4-(4-methoxyphenylsulfonyl)piperazin-1-yl)ethyl)quinazoline, 4-(cyclohexyloxy)-2-(1-{4-[(4-methoxybenzene)sulfonyl]piperazin-1-yl}ethyl)quinazoline, ACMC-20p1e2, GTPL4340, SCHEMBL3822809, VRT325, CHEMBL1257047, CTK9A5799, DTXSID00474707, VRT 325, MolPort-006-415-015, KS-000000GF, AKOS030228615, 4-cyclohexyloxy-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline, KB-01359, KB-34900, A1-01884, 4-(Cyclohexyloxy)-2-(1-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)ethyl)quinazoline, 4-(cyclohexyloxy)-2-(1-{4-[(4-methoxyphenyl)sulfonyl]-1-piperazinyl}ethyl)quinazoline

ID: 80
InChIKey: XJGFWWJLMVZSIG-UHFFFAOYSA-N
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N

biological descriptors:

CFTR relevance: CFTR proteostasis regulator

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

chemical graph of compound 80


CID is 7019 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/7019

CID is 7019
synonyms found at PubChem are:
9-AMINOACRIDINE, Acridin-9-amine, Aminacrine, 90-45-9, 9-Acridinamine, Aminoacridine, Aminacrin, Izoacridina, Monacrin, Aminoacridina, Aminoacridinum, 10-Amino-5-azaanthracene, 9-Acridinylamine, 9-Aminoakridin, Acridine, 9-amino-, 9-Aminoacridin, 9(10H)-Acridinimine, 9-Aminoakridin [Czech], Aminoacridine [INN:BAN], 9AA, UNII-78OY3Z0P7Z, NSC 13000, CCRIS 748, Acridin-9-ylamine, NSC 7571, EINECS 201-995-6, BRN 0141171, AI3-51012, 78OY3Z0P7Z, 9-AA, CHEBI:74789, XJGFWWJLMVZSIG-UHFFFAOYSA-N, acridine-9-ylamine, Aminopt, Mykocert, 110166-26-2, CS-003/03975023, WLN: T C666 BNJ IZ, MLS000780068, NSC7571, 7AD, 8AD, 9-Aminoacridine hydrochloride hydrate, acridin-9-amine;hydrate;hydrochloride, SMR000420251, iminoacridan, 5-Aminoacridin, 9-amino acridine, 4bds, 9-Amino-acridine, F2179-0009, acridin-9-yl-amine, Quench (Salt/Mix), ACMC-20mczt, Mycosert (Salt/Mix), Spectrum_001108, SpecPlus_000861, 9-Acridinamine (9CI), AC1L1NTJ, Spectrum2_001112, Spectrum3_000617, Spectrum4_000580, Spectrum5_001498, AC1Q4W9J, AC1Q51BO, Acramine Yellow (Salt/Mix), SCHEMBL14999, BSPBio_002154, KBioGR_001020, KBioSS_001588, BIDD:GT0816, CHEMBL43184, DivK1c_006957, SPECTRUM1500810, SPBio_001244, DTXSID2024456, BDBM72700, cid_2723598, CTK0G2217, KBio1_001901, KBio2_001588, KBio2_004156, KBio2_006724, KBio3_001654, KS-00000GTZ, XJGFWWJLMVZSIG-UHFFFAOYSA-, MolPort-001-738-830, HMS1921I16, HMS2092K22, HMS3715H04, Pharmakon1600-01500810, 9-acridinamine;hydrate;hydrochloride, ALBB-020726, BCP25849, HY-B1422, NSC13000, NSC28747, ZX-AN019316, ANW-75188, BBL011755, CCG-39037, NSC-13000, NSC-28747, NSC757794, SBB003606, STK387428, ZINC19014768, AKOS000120447, acridin-9-ylamine;hydrate;hydrochloride, CS-4915, DB11561, LS-1913, MCULE-4734217474, NSC-757794, NCGC00094857-01, NCGC00094857-02, NCGC00094857-03, AJ-45955, AK109135, AS-17405, CC-23490, ST093685, U978, 9-AMINOACRIDINE (5-AMINOACRIDINE), SBI-0051612.P002, AX8014518, DB-026983, KB-250613, TC-163933, A2905, FT-0621612, ST24045903, EN300-17076, M-2337, AB00052180_09, AB00052180_10, C-08694, SR-01000760844, CU-01000012501-2, SR-01000760844-2, BRD-K00535541-001-02-2, BRD-K00535541-311-04-1, 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE, 9-Aminoacridine, matrix substance for MALDI-MS, >=99.5% (HPLC), 9-AMINOACRIDINE (SEE ALSO 9-AMINOACRIDINE HCL AND 9-AMINOACRIDINE HCL-H2O), 148651-03-0, InChI=1/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)

ID: 8
InChIKey: RDOBOPJBMQURAT-UHFFFAOYSA-N
SMILES: CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=C(C=CC(=C4)Cl)OC

biological descriptors:

CFTR relevance: CFTR corrector

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

chemical graph of compound 8


CID is 1144671 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/1144671

CID is 1144671
synonyms found at PubChem are:
Corr-4a, RDOBOPJBMQURAT-UHFFFAOYSA-N, 421580-53-2, ST075396, N-(2-(5-Chloro-2-methoxyphenylamino)-4'-methyl-4,5'-bithiazol-2'-yl)benzamide, MLS000561131, Oprea1_189688, Oprea1_471654, SCHEMBL837666, CHEMBL260775, DTXSID00360737, MolPort-001-986-142, ZINC888741, AKOS001665304, MCULE-2724995336, BAS 02936954, KB-57187, SMR000156156, EU-0078205, MLS-0094194.0001, SR-01000492559, SR-01000492559-1, N-[2-(5-Chloro-2-methoxy-phenylamino)-4'-methyl-[4,5']bithiazolyl-2' -yl]-benzamide, N-[2-(5-Chloro-2-methoxy-phenylamino)-4'-methyl-[4,5']bithiazolyl-2'-yl]-benzami, N-[2-(5-Chloro-2-methoxyphenylamino)-4'-methyl-[4,5']bithiazolyl-2'-yl]benzamide, N-{2-[(5-chloro-2-methoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}benzamide, N-(5-{2-[(5-chloro-2-methoxyphenyl)amino](1,3-thiazol-4-yl)}-4-methyl(1,3-thia zol-2-yl))benzamide

ID: 21
InChIKey: WAEXFXRVDQXREF-UHFFFAOYSA-N
SMILES: C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO

biological descriptors:

CFTR relevance: CFTR proteostasis regulator

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

chemical graph of compound 21


CID is 5311 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/5311

CID is 5311
synonyms found at PubChem are:
Vorinostat, 149647-78-9, SAHA, suberoylanilide hydroxamic acid, Zolinza, N-hydroxy-N'-phenyloctanediamide, Suberanilohydroxamic acid, N1-hydroxy-N8-phenyloctanediamide, SAHA cpd, MK-0683, MK0683, Vorinostat [USAN], Octanediamide, N-hydroxy-N'-phenyl-, CCRIS 8456, Vorinostat (SAHA, MK0683), N-Hyrdroxy-N'-phenyloctanediamide, Vorinostat MSD, UNII-58IFB293JI, Zolinza (TN), OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, SHH, N'-hydroxy-N-phenyloctanediamide, CHEMBL98, Vorinostat (JAN/USAN), 58IFB293JI, SKI390, CHEBI:45716, WAEXFXRVDQXREF-UHFFFAOYSA-N, WIN64652, NSC701852, SAHA, Suberoylanilide hydroxamic acid, NSC-701852, NCGC00168085-01, NCGC00168085-02, SW-064652, 8-(hydroxyamino)-8-oxo-N-phenyl-octanamide, Zolinza (TN) (Merck), DSSTox_CID_21133, DSSTox_RID_79632, DSSTox_GSID_41133, N-hydroxy-N'-phenyl-octane-1,8-diotic acid diamide, SMR000486344, NHNPODA, CAS-149647-78-9, SR-05000000373, Vorinostat [USAN:INN], vorinostatum, HSDB 7930, 4lxz, N-Hydroxy-N'-phenyl octanediamide, Zolinza; SAHA, Vorinostat (SAHA), Vorinostat - SAHA, MK 0683, 1zz1, Merck brand of Vorinostat, cc-95, D0E7PQ, AC1L1K2K, cid_5311, SCHEMBL9018, Vorinostat (HDAC inhibitor), Suberoylanilidehydroxamic Acid, MLS001065855, MLS006011941, GTPL6852, Zolinza, MK-0683, SAHA, DTXSID6041133, BDBM19149, CTK8B4125, AOB6083, n-hydroxy-n'-phenyl-octanediamide, QCR-121, SUBERANILOHYDROXAMINIC ACID, SYN3006, 1t69, MolPort-003-850-293, N-hydroxy-N''-phenyloctanediamide, BCPP000018, HMS2219L20, HMS3264D20, HMS3327C12, HMS3650D09, HMS3654G11, HMS3715E22, Pharmakon1600-01502267, BCP01858, KS-00000H3B, N1-hydroxy-N8-phenyl-octanediamide, SAHA, >=98% (HPLC), Vorinostat,SAHA,Zolinza,MK-0683, ZINC1543873, Tox21_112605, Tox21_113623, Vorinostat,CAS:149647-78-9, ANW-43951, MFCD00945317, NSC748799, NSC759852, Octanediamide, N1-hydroxy-N8-phenyl, s1047, SK1390, AKOS015966648, Octanediamide, N1-hydroxy-N8-phenyl-, Tox21_112605_1, AC-1923, AN-5256, CCG-208659, CS-0589, DB02546, DG-0025, MCULE-4234367506, NSC-748799, NSC-759852, RP29421, Suberoylanilide hydroxamic acid (SAHA), NCGC00168085-03, NCGC00168085-04, NCGC00168085-05, NCGC00168085-13, BC677687, BP-30216, HY-10221, KB-60639, SC-20040, AB0009911, LS-186548, LS-186997, LS-187780, RT-015807, AM20030018, FT-0082592, FT-0650593, D06320, K-4759, AB00375377-07, AB00375377-08, AB00375377-09, AB01644613_25, 647S789, P111011, Vorinostat, SAHA, suberoylanilide hydroxamic acid, SR-05000000373-2, SR-05000000373-6, SR-05000000373-8, W-201327, BRD-K81418486-001-01-2, BRD-K81418486-001-10-3, BRD-K81418486-001-12-9, BRD-K81418486-001-13-7, BRD-K81418486-001-17-8, BRD-K81418486-001-18-6, Z1541632802

ID: 2061
InChIKey: SCKYRAXSEDYPSA-UHFFFAOYSA-N
SMILES: CC1=CC(=O)N(C(=C1)C2CCCCC2)O

biological descriptors:

CFTR relevance: CFTR proteostasis regulator

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

chemical graph of compound 2061


CID is 2749 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/2749

CID is 2749
synonyms found at PubChem are:
CICLOPIROX, 29342-05-0, Loprox, Penlac, Ciclopiroxum, Batrafen, HOE 296b, Stieprox, Terit, Ciclopiroxum [INN-Latin], cyclopirox, Mycoster, Ciclopirox gel, cyclopyroxolamine, Loprox cream, HOE-296b, Loprox Gel, Ciclopirox Olamin, Ciclopirox-Olamin, Dafnegin-CSC, 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridone, 2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-, 6-cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one, Loprox Shampoo, 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone, UNII-19W019ZDRJ, Penlac nail lacquer, Ciclopirox [USAN:BAN:INN], Loprox (TN), Penlac (TN), Ciclopirox (Penlac), Ciclopirox (USP/INN), EINECS 249-577-2, HOE-296, 19W019ZDRJ, 6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one, C12H17NO2, CHEBI:453011, SCKYRAXSEDYPSA-UHFFFAOYSA-N, 2(1H)-Pyridone, 6-cyclohexyl-1-hydroxy-4-methyl-, 6-CYCLOHEXYL-1-HYDROXY-4-METHYL-1H-PYRIDIN-2-ONE, 6-cyclohexyl-1-hydroxy-4-methyl-pyridin-2-one, 6-Cyclohexyl-1-hydroxy-4-methyl-2-(1H)-pyridone, (6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridone), W-106995, MLS002153867, CNL8, SMR001233223, Ciclopirox [USAN:USP:INN:BAN], Batrafen (TN), Stieprox (TN), 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one, AC1L1EDN, Prestwick0_000541, Prestwick1_000541, Prestwick2_000541, Prestwick3_000541, Spectrum2_000146, Spectrum3_000351, Spectrum4_000288, Spectrum5_000747, D07GRH, CHEMBL1413, SCHEMBL34424, BSPBio_000581, BSPBio_002041, KBioGR_000816, cid_38911, KSC563C4H, BIDD:GT0080, SPBio_000252, SPBio_002502, BPBio1_000641, ZINC1145, DTXSID9048564, BDBM66087, CTK4G3143, KBio3_001261, MolPort-003-845-943, HMS3656I12, BCP28530, HY-B0450, KS-00000L3N, AN-773, BG0571, s2528, AKOS015895717, AB06517, CS-2561, DB01188, KS-5085, NCGC00017112-04, NCGC00017112-05, NCGC00017112-06, NCGC00017112-08, NCGC00017112-11, NCGC00178850-01, NCGC00178850-02, AC-24195, AJ-07970, AK544043, BC205517, CC-25776, SC-17361, SBI-0206690.P002, AB0011605, AB2000628, KB-270156, LS-174247, TL8002303, 1-hydroxy-4-methyl-6-cyclohexyl-2-pyridone, FT-0602961, 6-cyclohexyl-1-hydroxy-4-methyl-2-pyridinone, D03488, 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one, AB00053438_09, AB00053438_10, AB00053438_11, 342C050, A819878, C-10474, 6-Cyclohexenyl-1-hydroxy-4-methyl-2(1h)-pyridone, 6-cyclohexyl-1-hydroxy-4-methyl-2(1 H)-pyridinone, Batrafen; Loprox;Mycoster;Stieprox;HOE 296b;Penlac, I06-0862, SR-05000001589-5, 6-cyclohexyl-1-hydroxy-4-methyl-2(1 H )-pyridinone, 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone #, BRD-K13044802-213-04-1, BRD-K13044802-213-09-0, 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methyl-2-pyridone, 6-cyclohexyl-1-hydroxy-4-methyl-1,2-dihydropyridin-2-one, 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methyl-2-pyridinone, 2-azanylethanol;6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one