previous reference ID: 85 next reference

CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"G Faure" "M Ollero" "L Wiszniewski" "F Becq" "S Bitam" "M Dadlez" "A Kupniewska" "N Servel" "C Norez" "N Odolczyk" "D Tondelier" "MF da Cunha" "P Zielenkiewicz" "A Roldan" "EL Saussereau" "G Wieczorek" "K Tarnowski" "A Edelman" "H Herrmann" "P Melin-Heschel" "J Fritsch" "GL Lukacs" "J Colas"


Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=14

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
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: 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

chemical graph of compound 3042



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: 20
InChIKey: UFSKUSARDNFIRC-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

biological descriptors:

CFTR relevance: CFTR corrector

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

chemical graph of compound 20



CID is 16678941
synonyms found at PubChem are:
936727-05-8, Lumacaftor, VX-809, VX 809, VX809, VRT-826809, 3-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid, UNII-EGP8L81APK, VRT 826809, EGP8L81APK, 3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)-benzoicacid, 3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)-benzoic acid, 3-(6-[[1-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-5-YL)-CYCLOPROPANECARBONYL]-AMINO]-3-METHYL-PYRIDIN-2-YL)-BENZOIC ACID, 3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid, 3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)-be, 3-(6-{[1-(2,2-Difluorobenzo[1,3]dioxol-5-yl)cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)benzoic acid, 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid, Lumacaftor [USAN:INN], Lumacaftor (USAN), PubChem22450, MLS006011120, SCHEMBL377028, Lumacaftor(vx-809 vx809), GTPL7481, CHEMBL2103870, CHEBI:90951, CTK8B5597, AOB2051, DTXSID30239523, EX-A178, C24H18F2N2O5, MolPort-009-198-874, UFSKUSARDNFIRC-UHFFFAOYSA-N, HMS3655E05, BCP02305, ABP000707, ANW-49250, s1565, VX-809/VX809, ZINC64033452, AKOS015920205, API0007686, CS-0479, DB09280, PB19466, QC-7245, NCGC00346550-01, NCGC00346550-05, 3-(6-(1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzoic acid, 4CA-0760, AC-23172, AK-36922, AN-16986, AS-31756, BC660192, Benzoic acid, 3-(6-(((1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl)carbonyl)amino)-3-methyl-2-pyridinyl)-, BR-36922, EN002684, HY-13262, KB-81477, SC-95543, SMR004702901, AB0008169, AJ-114588, AX8160252, TC-137995, FT-0757817, ST24028315, W9631, A25628, D10134, S-5955, J-690399, VX809, VX 809, 936727-05-8, 1220975-12-1, 3-(6-([1-(2,2-DIFLUORO-2H-1,3-BENZODIOXOL-5-YL)CYCLOPROPANE]AMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID, 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl) cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid, 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzoic acid, 3-(6-{[1-(2,2-Difluorobenzo[1,3]dioxol-5-yl)cyclopropanecarbonyl]amino}-3-methyl-pyridin-2-yl)benzoi, 3-(6-{[1-(2,2-Difluorobenzo[1,3]dioxol-5-yl)cyclopropanecarbonyl]amino}-3-methyl-pyridin-2-yl)benzoic acid, 3-[6-[[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid VX 809 Lumacaftor, 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridyl]benzoic acid, 3-{6-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropaneamido]-3-methylpyridin-2-yl}benzoic acid, 3-{6-[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropaneamido]-3-methylpyridin-2-yl}benzoic acid

ID: 2915
InChIKey: FYLYSEXHKNLCOF-UHFFFAOYSA-N
SMILES: C1=CC=C(C=C1)P(=O)(CCP(=O)(C2=CC=CC=C2)O)O

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

chemical graph of compound 2915



CID is 348520
synonyms found at PubChem are:
NSC407882, 1089-77-6, NSC-407882, AC1L89QR, NCIStruc1_001723, NCIStruc2_001208, SCHEMBL806049, diphenylethylenediphosphinic acid, CHEMBL1742186, 1,2-Bis(phenylphosphonyl)ethane, DTXSID90324863, ZINC1600154, CCG-37062, NCGC00014903, NCI407882, AKOS030621632, NCGC00014903-02, NCGC00098004-01, NCI60_003901, Ethane-1,2-diylbis(phenylphosphinic acid), 2-(hydroxy-phenyl-phosphoryl)ethyl-phenyl-phosphinic acid, 2-[hydroxy(phenyl)phosphoryl]ethyl-phenylphosphinic acid, {2-[hydroxy(phenyl)phosphoryl]ethyl}(phenyl)phosphinic acid

ID: 2883
InChIKey: BGOJJHGVMOOKAU-UHFFFAOYSA-N
SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C4=C(C=CC(=C4)C(=O)O)C(=O)O

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

chemical graph of compound 2883



CID is 252007
synonyms found at PubChem are:
NSC73100, AC1L5L3Q, NCIStruc1_001290, NCIStruc2_001412, SCHEMBL806014, CHEMBL1412139, CTK7F5945, NCI73100, ZINC1698877, CCG-37000, NCGC00013802, NCGC00013802-02, NCGC00096912-01, NCI60_041594, 2-(9H-fluoren-2-ylcarbamoyl)terephthalic acid, 2-((9H-fluoren-2-ylamino)carbonyl)terephthalic acid, 2-(9h-fluoren-2-ylcarbamoyl)benzene-1,4-dicarboxylic acid

ID: 2890
InChIKey: BZRSNJXOHYRQSB-UHFFFAOYSA-N
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)SCC(C(=O)O)N

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

chemical graph of compound 2890



CID is 276215
synonyms found at PubChem are:
NSC123526, MLS002707308, s-[9-(4-chlorophenyl)-9h-fluoren-9-yl]cysteine, 27486-80-2, 2-amino-3-{[9-(4-chlorophenyl)-9H-fluoren-9-yl]sulfanyl}propanoic acid, S-(9-(4-chlorophenyl)-9H-fluoren-9-yl)cysteine, AC1L5JCI, AC1Q3NO8, SCHEMBL3473170, CHEMBL1898204, DTXSID00298506, NCI60_000557, SMR001574700, 2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid

ID: 2934
InChIKey: IPGCPQVGKGPJDW-UHFFFAOYSA-N
SMILES: C1=CC=C2C=C(C=CC2=C1)C3=C(C=CC4=C3C(=O)C5=CC=CC=C5C4=O)C(=O)O

biological descriptors:

CFTR relevance: CFTR corrector, pocket 1

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

chemical graph of compound 2934



CID is 222760
synonyms found at PubChem are:
NSC9608, NSC-9608, NCIStruc1_001012, NCIStruc2_000716, AC1L5C23, SCHEMBL5022959, CHEMBL1399619, CTK7I8558, NCI9608, ZINC3953831, CCG-36883, NCGC00013098, NCGC00013098-02, NCGC00096220-01, NCI60_042143, 1-naphthalen-2-yl-9,10-dioxoanthracene-2-carboxylic acid, 1-(naphthalen-2-yl)-9,10-dihydroanthracene-2-carboxylic acid, 1-(2-naphthyl)-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid, 1-(naphthalen-2-yl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

ID: 2897
InChIKey: CZHKNJDXPPNMFV-UHFFFAOYSA-N
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)C3=CC(=C(C=C3)C)C

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

chemical graph of compound 2897



CID is 266881
synonyms found at PubChem are:
NSC105687, NSC-105687, N-(2-(3,4-dimethylbenzoyl)phenyl)-4-methylbenzenesulfonamide, N-[2-(3,4-dimethylbenzoyl)phenyl]-4-methylbenzenesulfonamide, AC1L6H0U, NCIStruc1_001377, NCIStruc2_001114, CHEMBL1443168, ZINC1691755, CCG-37452, NCGC00014077, NCI105687, NCGC00014077-02, NCGC00097186-01, NCI60_000136

ID: 2912
InChIKey: FGXWKSZFVQUSTL-UHFFFAOYSA-N
SMILES: C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O

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

chemical graph of compound 2912



CID is 3151
synonyms found at PubChem are:
domperidone, 57808-66-9, Motilium, Nauzelin, Domperidonum, Domperidona, Domperidon, Motinorm, Costi, Domperidonum [INN-Latin], Domperidona [INN-Spanish], Motillium, R-33812, NSC299589, Motilium (TN), KW-5338, R 33,812, Domperidone (Motilium), Lopac-D-122, 4-(5-Chloro-2-oxo-1-benzimidazolinyl)-1-[3-(2-oxobenzimidazolinyl)propyl]piperidine, Domperidone [USAN:BAN:INN:JAN], Domperidone Maleate, EINECS 260-968-7, UNII-5587267Z69, KW 5338, BRN 0903774, 5-Chloro-1-(1-(3-(2-oxo-1-benzimidazolinyl)propyl)-4-piperidyl)-2-benzimidazolinone, MLS000069343, CHEMBL219916, CHEBI:31515, R-33,812, NCI299589, 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one, NSC-299589, HS-0067, D-122, 5-Chloro-1-[1-[3-(2-oxo-1-benzimidazolinyl)propyl]-4-piperidyl]-2-benzimidazolinone, DSSTox_CID_25116, DSSTox_RID_80682, DSSTox_GSID_45116, 2H-Benzimidazol-2-one, 5-chloro-1-(1-(3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl)-4-piperidinyl)-1,3-dihydro-, 5-Chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one, 5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one, W-105440, 5587267Z69, 1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)piperidin-1-yl)propyl)-1H-benzo[d]imidazol-2(3H)-one, 2H-Benzimidazol-2-one, 1,3-dihydro-5-chloro-1-(1-(3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl)-4-piperidinyl)-, 5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one, 5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one, 5-chloro-1-(1-(3-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, 5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one, SMR000326802, CAS-57808-66-9, SR-01000003002, peridon, Nauzelin OD, Domperidone,(S), domperidone betadex, Motillium (TN), Motinorm (TN), 5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, 5-chloro-1-{1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one, Domperidone [USAN:INN:BAN:JAN], Prestwick_794, Domperidone,Motilium, Costi (TN), PubChem15679, Spectrum_000391, Opera_ID_616, SpecPlus_000825, AC1L1FAB, Prestwick0_000461, Prestwick1_000461, Prestwick2_000461, Prestwick3_000461, Spectrum4_000087, domperidone betacyclodextrin, Biomol-NT_000022, D0AV3G, NCIStruc1_001686, NCIStruc2_001819, Lopac0_000427, SCHEMBL43729, BSPBio_002350, GTPL965, KBioGR_000354, KBioSS_000871, 5-24-02-00402 (Beilstein Handbook Reference), MLS000859942, MLS001306482, MLS002222324, DivK1c_006921, SPECTRUM2300212, SPBio_002501, Domperidone (JAN/USAN/INN), BPBio1_000620, BPBio1_001185, DTXSID1045116, CTK8B3352, Domperidone (JP17/USAN/INN), KBio1_001865, KBio2_000871, KBio2_003439, KBio2_006007, KS-00000PNZ, BBC/763, 99497-03-7 (maleate), FGXWKSZFVQUSTL-UHFFFAOYSA-N, MolPort-003-666-773, HMS1922N04, HMS2089C14, HMS2093N22, HMS2096C21, HMS2230N18, HMS3261E16, HMS3269O13, HMS3370L03, HMS3656M21, HMS3713C21, Pharmakon1600-02300212, BCP28265, Domperidone 1.0 mg/ml in Methanol, EBD46624, HY-B0411, ZINC4175569, ZX-AS004963, Tox21_110056, Tox21_500427, ANW-42358, BBL028136, BDBM50241107, BG0172, CCG-37870, CD0227, GP3849, MFCD00069256, NCGC00014670, NSC759575, s2461, STK622843, AKOS005555858, Tox21_110056_1, AC-2037, AN-5531, CS-2511, DB01184, Domperidone, powder, >=98% (HPLC), LP00427, MCULE-4430288884, NSC-759575, NCGC00014670-01, NCGC00014670-02, NCGC00014670-03, NCGC00014670-04, NCGC00014670-05, NCGC00014670-06, NCGC00014670-07, NCGC00014670-08, NCGC00014670-09, NCGC00014670-10, NCGC00014670-11, NCGC00014670-12, NCGC00014670-13, NCGC00014670-14, NCGC00014670-16, NCGC00014670-17, NCGC00015306-01, NCGC00021472-02, NCGC00021472-03, NCGC00021472-04, NCGC00021472-05, NCGC00021472-06, NCGC00021472-07, NCGC00021472-08, NCGC00097773-01, NCGC00261112-01, LS-33301, NCI60_002512, SC-18462, SMR000058969, 83898-65-1 (maleate (1:1)), AB0110085, AB1009278, AB00052423, D4125, EU-0100427, FT-0625588, D01745, AB00052423-06, AB00052423-07, AB00052423_08, AB00052423_09, 808D669, L000230, R 33812, I01-0054, SR-01000003002-2, SR-01000003002-4, SR-01000003002-7, BRD-K38305202-001-02-6, BRD-K38305202-001-08-3, I14-14161, Domperidone, European Pharmacopoeia (EP) Reference Standard, 5-Chloro-1-[1-[3-(2-oxo-1-benzimidazolyl)propyl]-4-piperidyl]benzimidazol-2-one, 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one, 2H-Benzimidazol-2-one,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-, 5-(2,4-dihydroxy-5-isopropylphenyl)-4-(1-methyl-1H-indol-5-yl)-2H-1,2,4-triazol-3(4H)-one, 5-Chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]- 1,3-dihydro-2H-benzimidazol-2-one, 5-Chloro-1-[1-[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1- yl)propyl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one, 5-chloro-1-[1-[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]piperidine-4-yl]-1,3-dihydro-2H-benzimidazol-2-one;, 5-chloro-1-{1-[3(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one, 5-chloro-1-{1-[3-(1,3-dihydro-2-oxo-2H-benzimidazol-1-yl)propyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one, 5-Chloro-1-{1-[3-(2-hydroxy-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-2,3-dihydro-1H-benzoimidazol-2-ol, 5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one, 5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one(domperidone), DOMPERIDONE5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one

ID: 2923
InChIKey: HEMNVSCJOZIBEQ-UHFFFAOYSA-N
SMILES: C1=CNC(=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN

biological descriptors:

CFTR relevance: CFTR corrector, pocket 1

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

chemical graph of compound 2923



CID is 284708
synonyms found at PubChem are:
NSC140873, MLS000766105, 106410-13-3, NSC-140873, 2-amino-N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]acetamide, Acetamide, 2-amino-N-[4-chloro-2-(1H-pyrrol-2-ylcarbonyl)phenyl]-, GCPK, 2-Amino-N-(4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl)acetamide, ACMC-20ma4y, AC1L61GU, NCIStruc1_000814, NCIStruc2_000850, SCHEMBL9851289, CHEMBL1450586, CTK0D7247, ZINC21557, DTXSID00301064, HEMNVSCJOZIBEQ-UHFFFAOYSA-N, CCG-38259, NCGC00014365, NCI140873, AKOS030563283, NCGC00014365-02, NCGC00014365-03, NCGC00014365-04, NCGC00097473-01, NCI60_000895, SMR000528603, MLS000766105-02, MLS000766105-03, 2-Glycineamide-5-chlorophenyl 2-pyrryl ketone, 2-amino-N-(4-chloro-2-(1H-pyrrol-2-ylcarbonyl)phenyl)acetamide

ID: 2926
InChIKey: HRCYEQFRHAXCRH-UHFFFAOYSA-N
SMILES: CN1C2=C(C=N1)C(=NC(=N2)NC3=CC(=CC=C3)Cl)NC4=CC(=CC=C4)Cl

biological descriptors:

CFTR relevance: CFTR corrector, pocket 1

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

chemical graph of compound 2926



CID is 223753
synonyms found at PubChem are:
NSC11668, MLS000737956, NSC-11668, 4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine, AC1L5CSO, NCIStruc1_001174, NCIStruc2_000793, cid_223753, CHEMBL1335220, SCHEMBL13100664, BDBM32629, MolPort-003-594-732, N4,4-d]pyrimidine-4,6-diamine, NCI11668, ZINC1718486, CCG-36888, NCGC00013125, AKOS024255121, MCULE-2217239478, NCGC00013125-02, NCGC00096246-01, NCI60_000381, SMR000528106, N4,N6-bis(3-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

ID: 2942
InChIKey: JSMKCCIMZBFWNW-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)CC2=C(C=CC(=C2)NC3=C4C=C(C=CC4=[NH+]C5=C3C=CC(=C5)Cl)OC)O.[Cl-]

biological descriptors:

CFTR relevance: CFTR corrector, pocket 1

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

chemical graph of compound 2942



CID is 5458251
synonyms found at PubChem are:
NSC130813, AC1NUQ41, DTXSID60419997, Phenol, 4-[(6-chloro-2-methoxy-9-acridinyl)amino]-2-[(4-methyl-1-piperazinyl)methyl]-, 4-[(6-chloro-2-methoxyacridin-10-ium-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol chloride, CHEMBL1970271, 4-(6-chloro-2-methoxyacridin-9-ylamino)-2-((4-methylpiperazin-1-yl)methyl)phenol, dihydrochloride

ID: 2881
InChIKey: BAYMNCHSODLCJV-UHFFFAOYSA-N
SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)C(=C1)N

biological descriptors:

CFTR relevance: CFTR corrector, pocket 1

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

chemical graph of compound 2881



CID is 235593
synonyms found at PubChem are:
NSC37173, NSC-37173, CHEMBL221733, 6305-91-5, 4-{[(5-aminonaphthalen-2-yl)sulfonyl]amino}benzoic acid, 4-[(5-aminonaphthalen-2-yl)sulfonylamino]benzoic acid, D0B3XP, AC1L5UQ8, AC1Q6VU5, NCIStruc1_001028, NCIStruc2_001521, CTK5B7325, DTXSID10284415, NCI37173, ZINC1669798, BDBM50158388, CCG-36845, NCGC00013434, AKOS030548133, NCGC00013434-02, NCGC00096549-01, NCI60_003431, 4-(1-aminonaphthalene-6-sulfonamido)benzoic acid, 4-(5-aminonaphthalene-2-sulfonamido)benzoic acid, 4-(((5-amino-2-naphthyl)sulfonyl)amino)benzoic acid

ID: 2902
InChIKey: DIKVHTCRLXZEJN-UHFFFAOYSA-N
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC(=O)C3=C(N2)N=CN3

biological descriptors:

CFTR relevance: CFTR corrector, pocket 1

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

chemical graph of compound 2902



CID is 3246417
synonyms found at PubChem are:
2-((3-Nitrobenzyl)thio)-9H-purin-6-ol, 15870-55-0, NSC118208, NSC-118208, 2-((3-nitrobenzyl)thio)-3H-purin-6(7H)-one, AC1MMYGF, NCIStruc1_001314, NCIStruc2_001113, CHEMBL1568233, SCHEMBL16318809, DTXSID00390574, MolPort-038-940-924, ZINC7996341, CCG-36621, NCGC00014199, NCI118208, NSC211342, AKOS024464712, AKOS025328668, NSC-211342, 2-(3-nitrobenzylthio)-9H-purin-6-ol, NCGC00014199-02, NCGC00097308-01, AK162280, NCI60_000435, AX8294627, 2-(3-nitrobenzylthio)-3H-purin-6(7H)-one, 2-((3-(hydroxy(oxido)amino)benzyl)thio)-9H-purin-6-ol, F9994-0116, 2-[(3-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-6-one