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

Default Structure
ChEBI IDCHEBI:43541
ChEBI Name3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
Stars
DefinitionAn amido thiophene-2-carboxylic acid derivative used as an inhibitor of HCV (Hepatitis C Virus) RNA polymerase.
Secondary ChEBI IDsCHEBI:36784, CHEBI:43539, CHEBI:377577
Last Modified24 May 2010
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC22H21NO3S
Net Charge0
Average Mass379.481
Monoisotopic Mass379.12421
SMILESCc1ccc(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C(C)C)cc1
InChIInChI=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)
InChIKeyLRHXIDOGMBZJFN-UHFFFAOYSA-N
Roles Classification
Biological Role:
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 Relation(s)
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  Source
3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acidChEBI
3-[Isopropyl-(4-methyl-benzoyl)-amino]-5-phenyl-thiophene-2-carboxylic acidChEMBL
3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACIDPDBeChem
Manual XrefsDatabases
DB03647DrugBank
IPCPDBeChem
Registry NumbersSources
Beilstein:9651127Beilstein
Citations