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