previous reference ID: 14 next reference

CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"AS Verkman" "H Yang" "GL Lukacs" "K Du" "C Folli" "LJ Galietta" "T Ma" "N Pedemonte" "RK Guy" "VS Gopinath" "AA Shelat" "A Taddei"


Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=12

ID: 75
InChIKey: VPJJUDAXEIWYQR-UHFFFAOYSA-N
SMILES: C1CCCC2SC(NC(=O)C3=CC=CC=C3Cl)=C(C(=O)N)C1=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

chemical graph of compound 75



CID is 723141
synonyms found at PubChem are:
CHEMBL210832, 2-(2-chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 298193-32-5, 2-[(2-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, BAS 00568157, CBMicro_048310, dF508act-02, AC1LF54M, AC1Q4Z7D, Cambridge id 5367707, Oprea1_211305, Oprea1_265080, SCHEMBL3110880, MolPort-000-224-232, VPJJUDAXEIWYQR-UHFFFAOYSA-N, ZINC127920, BDBM50185114, STL282684, AKOS000291649, MCULE-3529042180, ACM298193325, KB-13984, BIM-0048269.P001, KB-113545, EU-0035371, ST50003514, SR-01000404669, SR-01000404669-1, F0016-0638, 2-(2-Chlorobenzoylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acidamide, 2-[(2-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxamide, 2-[(2-chlorophenyl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbox amide, 2-{[(2-chlorophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-C-(2-chlorobenzene)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide

ID: 1050
InChIKey: JDUMTSOFUMWLJQ-UHFFFAOYSA-N
SMILES: C1=CC=C(C=C1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)N

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

chemical graph of compound 1050



CID is 570268
synonyms found at PubChem are:
3-benzamidobenzofuran-2-carboxamide, 3-benzamido-1-benzofuran-2-carboxamide, 68217-75-4, JDUMTSOFUMWLJQ-UHFFFAOYSA-N, 3-Benzoylamino-benzofuran-2-carboxylic acid amide, AC1LC69T, Cambridge id 6432655, Oprea1_760585, MLS000528875, SCHEMBL3118545, CHEMBL1308755, CTK7F8402, ZINC58361, CHEBI:115706, MolPort-001-964-434, HMS1692O04, HMS2313B21, STK070406, AKOS000507241, MCULE-7381463762, BAS 01508074, SMR000121350, ST079168, Benzofuran-2-carboxamide, 3-benzoylamino-, 2-benzofurancarboxamide, 3-(benzoylamino)-, 3-(Benzoylamino)-1-benzofuran-2-carboxamide, EU-0017189, 3-(Benzoylamino)-1-benzofuran-2-carboxamide #, 3-(phenylcarbonylamino)benzo[b]furan-2-carboxamide, 3-[(phenylcarbonyl)amino]-1-benzofuran-2-carboxamide, F0834-0768, Z108545860, A0111/0004866

ID: 1186
InChIKey: KORXYHAXZMUWOH-UHFFFAOYSA-N
SMILES: C1C2C(C(=O)N)=C(NC(CCCCC)=O)SC=2CCC1

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

chemical graph of compound 1186



CID is 4348538
synonyms found at PubChem are:
AC1N8RQ6, SCHEMBL3125764, AKOS000291773, SR-01000089348, SR-01000089348-1, 2-(hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

ID: 911
InChIKey: HZYRBUCNWBHBKG-UHFFFAOYSA-N
SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)NC3=CC=CC=C3)C(=O)N

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

chemical graph of compound 911



CID is 730612
synonyms found at PubChem are:
2-[(anilinocarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(phenylcarbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, BAS 02283611, AC1LE5JX, Cambridge id 6284183, TimTec1_003014, Oprea1_332571, Oprea1_467201, ARONIS021903, SCHEMBL5450860, HZYRBUCNWBHBKG-UHFFFAOYSA-N, MolPort-000-884-421, HMS1542I22, ZINC143445, KS-00004D9Z, STK008802, AKOS000281732, MCULE-6024236949, ST040702, BB0276176, KB-122439, AN-329/40173696, BRD-K65277491-001-01-5, Z44613029, 2-(N'-Phenylureido)-4,5,6,7-tetrahydro-benzo[b]thiophen-3-carbonsaureamid, 2-(phenylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(anilinocarbonyl)amino]-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxamide, 2-[(phenylamino)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxami de, 27285-13-8

ID: 2504
InChIKey: WRQBEFIJZLEUBS-NDENLUEZSA-N
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C\3/C(=O)NC(=O)N(C3=O)CC4=CC=CO4

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

chemical graph of compound 2504



CID is 1349528
synonyms found at PubChem are:
AC1LQF9X, SCHEMBL3113918, MolPort-002-194-707, HMS1586E02, ZINC15800021, SR-01000232745, SR-01000232745-1, (5Z)-1-(furan-2-ylmethyl)-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

ID: 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

chemical graph of compound 3017



CID is 85871990


ID: 730
InChIKey: GLMUPSMDHQHUED-UHFFFAOYSA-N
SMILES: CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

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

chemical graph of compound 730



CID is 722862
synonyms found at PubChem are:
CHEMBL209937, 2-[(2-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, AC1LF4HZ, Oprea1_406206, Oprea1_857326, ARONIS018977, SCHEMBL5453093, MolPort-000-999-154, ZINC127333, BDBM50185106, STK007957, AKOS000291770, MCULE-9702864044, KS-00004B19, BAS 00803292, ST015560, BB0274140, EU-0068219, SR-01000401029, SR-01000401029-1, 2-(2-methylbenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[(2-methylphenyl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbox amide, 2-{[(2-methylphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

ID: 2418
InChIKey: VYZGUUJEDSDDGA-UHFFFAOYSA-N
SMILES: CC(C)(C)C1=CC=C(C=C1)OC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)N

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

chemical graph of compound 2418



CID is 2848108
synonyms found at PubChem are:
9,10-Anthracenedione, 2-amino-1-[4-(1,1-dimethylethyl)phenoxy]-, 68256-56-4, AC1ME4NZ, SCHEMBL3116592, CTK1J2359, DTXSID30385897, MolPort-002-152-359, ZINC4981639, AKOS030561325, MCULE-8602163630, 1-(4-t-butylphenoxy)-2-amino-9,10-anthraquinone, 1-(4-tert-Butylphenoxy)-2-amino-9,10-anthraquinone, 2-amino-1-(4-tert-butylphenoxy)anthracene-9,10-dione

ID: 92
InChIKey: ABGZFAWHPVNBOG-UHFFFAOYSA-N
SMILES: CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=C(C=C2)C(C)C)C(=O)OC

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

chemical graph of compound 92



CID is 19232492
synonyms found at PubChem are:
AKOS003007998

ID: 1027
InChIKey: IZMYWEXQNFYSRZ-UHFFFAOYSA-N
SMILES: C1C2C(C(=O)N)=C(NC(C3CCCCC3)=O)SC=2CCC1

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

chemical graph of compound 1027



CID is 675676
synonyms found at PubChem are:
CHEMBL209562, 2-[(cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 142995-02-6, 2-(cyclohexanecarboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, AC1LDUWQ, Cambridge id 6993511, Oprea1_477124, ARONIS001749, SCHEMBL3126680, ZINC38517, IZMYWEXQNFYSRZ-UHFFFAOYSA-N, MolPort-001-501-026, BDBM50185103, STK095320, AKOS000491344, MCULE-4335105668, KS-00003V54, BAS 04054141, ST054630, BB0278962, EU-0008292, UNM000003541001, AK-968/12120287, SR-01000463330, SR-01000463330-1, Z27358490, 2-cyclohexaneamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(Cyclohexanecarbonyl-amino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid amide, 2-(cyclohexanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(cyclohexylcarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

ID: 1069
InChIKey: JHTMQDBBUHLBPF-UHFFFAOYSA-N
SMILES: C1CCC(C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

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

chemical graph of compound 1069



CID is 672766
synonyms found at PubChem are:
AC1LDQTT, Oprea1_845061, SCHEMBL3128067, ZINC34601, AKOS003872668, ST050179, EU-0008274, SR-01000463429, SR-01000463429-1, A2796/0118147, 2-(cyclopentanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(cyclopentylcarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide