SB 431542 (CHEBI:91108)

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ChEBI Name	SB 431542

ChEBI ID	CHEBI:91108

Definition	A member of the class of benzamides that is 4-(imidazol-2-yl)benzamide carrying additional 1,3-benzodioxol-5-yl and pyridin-2-yl substituents at positions 4 and 5 respectively on the imidazole ring.

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

Supplier Information	ChemicalBook:CB5360318, eMolecules:594330, eMolecules:36500369, Selleckchem:SB-431542, ZINC000000603769

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Formula

C22H16N4O3

Net Charge

Average Mass

384.388

Monoisotopic Mass

384.12224

InChI

InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)

InChIKey

FHYUGAJXYORMHI-UHFFFAOYSA-N

SMILES

C(=O)(C1=CC=C(C=C1)C2=NC(=C(N2)C=3N=CC=CC3)C4=CC=5OCOC5C=C4)N

Roles Classification
Biological Role(s):	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).

ChEBI Ontology
Outgoing	SB 431542 (CHEBI:91108) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434) SB 431542 (CHEBI:91108) is a benzamides (CHEBI:22702) SB 431542 (CHEBI:91108) is a benzodioxoles (CHEBI:38298) SB 431542 (CHEBI:91108) is a imidazoles (CHEBI:24780) SB 431542 (CHEBI:91108) is a pyridines (CHEBI:26421)

IUPAC Name

4-[4-(2H-1,3-benzodioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide

Synonyms	Sources
4-(4-(1,3-Benzodioxole-5-yl)-5-(2-pyridyl)-1H-imidazole-2-yl)benzamide	ChemIDplus
SB-431542	ChemIDplus
SB431542	ChEBI

Last Modified

08 July 2016