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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"P Kim Chiaw" "L Wellhauser" "LJ Huan" "M Ramjeesingh" "CE Bear"


Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=3
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: 19
InChIKey: RFDOKDAIYRJYJJ-UHFFFAOYSA-N
SMILES: CC1=CC(=C2C=C(NN2)C3=CC=CC=C3)C(=O)C=C1

biological descriptors:

CFTR relevance: CFTR modulators

Category:
Influence on CFTR function enhances CFTR function
Order of interaction binds to CFTR
subcellular compartment Apical membrane & subapical compartment

chemical graph of compound 19



CID is 6742696
synonyms found at PubChem are:
VRT-532, VRT532, VRT 532, 4-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol, Cambridge id 5478102, AC1OA052, GTPL4341, CTK8I5138, ZINC4576484, 4-methyl-6-(5-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
ID: 1654
InChIKey: OWBBGEXHBDJSGX-UHFFFAOYSA-N
SMILES: CC(C1=NC(=O)C2=CC=CC=C2N1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

biological descriptors:

CFTR relevance: inactive

Category:
Influence on CFTR function none
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 1654



CID is 23632286
synonyms found at PubChem are:
2-{1-[4-(4-Methoxy-benzenesulfonyl)-piperazin-1-yl]-ethyl}-3H-quinazolin-4-one, SCHEMBL3821548, OWBBGEXHBDJSGX-UHFFFAOYSA-N, KB-13575, EC-000.0199, 2-(1-{4-[(4-methoxyphenyl)sulfonyl]-1-piperazinyl}ethyl)-4-quinazolinol, 4-quinazolinol, 2-[1-[4-[(4-methoxyphenyl)sulfonyl]-1-piperazinyl]ethyl]-, 815590-48-8