"Y Wang"
"MC Bartlett"
"DM Clarke"
"TW Loo"
Below you will find all the structures identified in the publication. Be warned that this does not imply any activity.
n=6
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
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: 2875
InChIKey: AQWKVJFRGORALM-UHFFFAOYSA-N
SMILES: OC1=CC=C(C)C=C1C2=NNC(C3=CC=CC=C3)=C2
biological descriptors:
CFTR relevance: CFTR chaperone and potentiator
Category:
Influence on CFTR function enhances CFTR function
Order of interaction binds to CFTR
subcellular compartment several
CID is
781239
ID: 32
InChIKey: DHKIZPIDZINAAO-UHFFFAOYSA-N
SMILES: CCOC1=CC=CC=C1NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=CC=C4)C
biological descriptors:
CFTR relevance: CFTR corrector
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
1144666
synonyms found at PubChem are:
MLS000561135, Oprea1_004830, Oprea1_493857, SCHEMBL837737, CHEMBL1451149, MolPort-001-986-136, ZINC888726, AKOS000562160, MCULE-3678609376, BAS 02936934, SMR000156160, ST075397, EU-0078236, SR-01000492602, SR-01000492602-1, N-[2-(2-Ethoxy-phenylamino)-4'-methyl-[4,5']bithiazolyl-2'-yl]-benzamide, N-(5-{2-[(2-ethoxyphenyl)amino](1,3-thiazol-4-yl)}-4-methyl(1,3-thiazol-2-yl)) benzamide
ID: 22
InChIKey: XWSYQZVZZMFGFW-UHFFFAOYSA-N
SMILES: CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5N4
biological descriptors:
CFTR relevance: CFTR corrector
Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown
CID is
1386410
synonyms found at PubChem are:
MLS000587783, STK562693, 362000-44-0, SMR000211743, 6-(1H-Benzoimidazol-2-ylsulfanylmethyl)-2-(6-methoxy-4-methyl-quinazolin-2-ylamino)-pyrimidin-4-ol, 6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one, 6-[(1H-benzimidazol-2-ylsulfanyl)methyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]pyrimidin-4-ol, Corr-3a, AC1LR1AE, Oprea1_443670, Oprea1_685675, SCHEMBL837686, CHEMBL1374384, BDBM68023, cid_1386410, CTK8I4173, DTXSID30362587, MolPort-000-717-537, MolPort-002-553-491, HMS2527M03, STK017630, ZINC15987756, AKOS005378152, AKOS005488273, MCULE-9390583364, KB-44178, SR-01000450464, SR-01000450464-1, 4-pyrimidinol, 6-[(1H-benzimidazol-2-ylthio)methyl]-2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-, 6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one, 6-(1H-Benzoimidazol-2-ylsulfanylmethyl)-2-(6-methoxy-4-methylquinazolin-2-ylamino)pyrimidin-4-ol, 6-[(1H-benzimidazol-2-ylsulfanyl)methyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]pyrimidin-4(3H)-one, 6-[(1H-benzimidazol-2-ylthio)methyl]-2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one, 6-[(1H-benzimidazol-2-ylthio)methyl]-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one
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
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: 45
InChIKey: JZJXEPNQMCFBIS-UHFFFAOYSA-N
SMILES: C=CC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC=C3
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)
CID is
683025
synonyms found at PubChem are:
Corr-2b, AC1LEAGY, SCHEMBL837831, ZINC48933, ST007156, EU-0084361, Phenyl-[4-(4-vinyl-phenyl)-thiazol-2-yl]-amine, SR-01000511692, 4-(4-ethenylphenyl)-N-phenyl-1,3-thiazol-2-amine, phenyl[4-(4-vinylphenyl)(1,3-thiazol-2-yl)]amine, SR-01000511692-1, A0861/0040368
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