CHEBI:91108 - SB 431542

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C22H16N4O3
Net Charge 0
Average Mass 384.388
Monoisotopic Mass 384.122
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).
View more via ChEBI Ontology
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
Manual Xrefs Databases
LSM-3498 LINCS
SB-431542 Wikipedia
View more database links
Registry Numbers Types Sources
301836-41-9 CAS Registry Number ChemIDplus
9086247 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
26647384 PubMed citation Europe PMC
26798350 PubMed citation Europe PMC
26820382 PubMed citation Europe PMC
Last Modified
08 July 2016