previous compound ID: 1027 next compound
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

reference list:

ReferenceID: 14


Yang H et. al. 2003 (paper)
Nanomolar affinity small molecule correctors of defective Delta F508-CFTR chloride channel gating.
The Journal of biological chemistry, page 35079-85, volume 278, issue 37, year 2003
"T Ma" "N Pedemonte" "H Yang" "LJ Galietta" "GL Lukacs" "AA Shelat" "VS Gopinath" "AS Verkman" "C Folli" "RK Guy" "K Du" "A Taddei"
DOI: 10.1074/jbc.M303098200
PMID: 12832418


Reference Into Function: We identified six novel classes of high affinity potentiators of defective Delta F508-CFTR Cl- channel gating by screening 100,000 diverse small molecules. Thirty-two compounds with submicromolar activating potency were identified; most had tetrahydrobenzothiophene, benzofuran, pyramidinetrione, dihydropyridine, and anthraquinone core structures (360-480 daltons). Further screening of >1000 structural analogs revealed tetrahydrobenzothiophenes that activated DeltaF508-CFTR Cl- conductance reversibly with Kd < 100 nm.


chemical graph of compound 1027




CID is 675676 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/675676

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