EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:87158 - SU1498

ChEBI IDCHEBI:87158
ChEBI NameSU1498
Stars
DefinitionA monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enoic acid with the amino group of 3-phenylpropylamine.
Last Modified7 March 2018
SubmitterCeri
DownloadsMolfile
FormulaC25H30N2O2
Net Charge0
Average Mass390.527
Monoisotopic Mass390.23073
SMILESCC(C)c1cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)cc(C(C)C)c1O
InChIInChI=1S/C25H30N2O2/c1-17(2)22-14-20(15-23(18(3)4)24(22)28)13-21(16-26)25(29)27-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,17-18,28H,8,11-12H2,1-4H3,(H,27,29)/b21-13+
InChIKeyJANPYFTYAGTSIN-FYJGNVAPSA-N
Roles Classification
Biological Role:
vascular endothelial growth factor receptor antagonist  An antagonist at the vascular endothelial growth factor receptor.
ChEBI Ontology
Outgoing Relation(s)
SU1498 (CHEBI:87158) has role vascular endothelial growth factor receptor antagonist (CHEBI:65207)
SU1498 (CHEBI:87158) is a enamide (CHEBI:51751)
SU1498 (CHEBI:87158) is a monocarboxylic acid amide (CHEBI:29347)
SU1498 (CHEBI:87158) is a nitrile (CHEBI:18379)
SU1498 (CHEBI:87158) is a phenols (CHEBI:33853)
SU1498 (CHEBI:87158) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
(2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(3-phenylpropyl)prop-2-enamide
Synonyms  Source
SU 1498SUBMITTER
SU-1498SUBMITTER
Registry NumbersSources
Reaxys:13590854Reaxys
Citations