3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid (CHEBI:43541)

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ChEBI Name	3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid

ChEBI ID	CHEBI:43541

Definition	An amido thiophene-2-carboxylic acid derivative used as an inhibitor of HCV (Hepatitis C Virus) RNA polymerase.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:36784, CHEBI:43539, CHEBI:377577

Supplier Information

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Formula

C22H21NO3S

Net Charge

Average Mass

379.47308

Monoisotopic Mass

379.12421

InChI

InChI=1S/C22H21NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,25,26)

InChIKey

LRHXIDOGMBZJFN-UHFFFAOYSA-N

SMILES

CC(C)N(C(=O)c1ccc(C)cc1)c1cc(sc1C(O)=O)-c1ccccc1

Roles Classification
Biological Role(s):	EC 2.7.7.6 (RNA polymerase) inhibitor An EC 2.7.7.* (nucleotidyltransferase) inhibitor that interferes with the action of RNA polymerase (EC 2.7.7.6).

ChEBI Ontology
Outgoing	3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid (CHEBI:43541) has role EC 2.7.7.6 (RNA polymerase) inhibitor (CHEBI:37416) 3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid (CHEBI:43541) is a monocarboxylic acid amide (CHEBI:29347) 3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid (CHEBI:43541) is a thiophenes (CHEBI:26961)

IUPAC Name

3-[(4-methylbenzoyl)(propan-2-yl)amino]-5-phenylthiophene-2-carboxylic acid

Synonyms	Sources
3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID	PDBeChem
3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid	ChEBI
3-[Isopropyl-(4-methyl-benzoyl)-amino]-5-phenyl-thiophene-2-carboxylic acid	ChEMBL

Registry Number	Type	Source
9651127	Beilstein Registry Number	Beilstein

Last Modified

24 May 2010