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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"MC Bartlett" "Y Wang" "TW Loo" "DM Clarke"


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

chemical graph of compound 3



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

chemical graph of compound 2875



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

chemical graph of compound 32



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

chemical graph of compound 22



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

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: 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)

chemical graph of compound 45



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