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CHEBI:91108 - SB 431542

ChEBI IDCHEBI:91108
ChEBI NameSB 431542
Stars
DefinitionA 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.
Last Modified8 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC22H16N4O3
Net Charge0
Average Mass384.395
Monoisotopic Mass384.12224
SMILESNC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)n2)cc1
InChIInChI=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)
InChIKeyFHYUGAJXYORMHI-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
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 Relation(s)
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  Source
SB431542ChEBI
4-(4-(1,3-Benzodioxole-5-yl)-5-(2-pyridyl)-1H-imidazole-2-yl)benzamideChemIDplus
SB-431542ChemIDplus
Manual XrefsDatabases
SB-431542Wikipedia
LSM-3498LINCS
Registry NumbersSources
Reaxys:9086247Reaxys
CAS:301836-41-9ChemIDplus
Citations