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CHEBI:91088 - orantinib

ChEBI IDCHEBI:91088
ChEBI Nameorantinib
Stars
DefinitionAn oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 2-(2-carboxyethyl)-3,5-dimethylpyrrol-3-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1.
Last Modified25 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC18H18N2O3
Net Charge0
Average Mass310.353
Monoisotopic Mass310.13174
SMILESCc1nc(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIInChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNHFDRBXTEDBWCZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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).
vascular endothelial growth factor receptor antagonist  An antagonist at the vascular endothelial growth factor receptor.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
orantinib (CHEBI:91088) has functional parent 3-methyleneoxindole (CHEBI:17920)
orantinib (CHEBI:91088) has role antineoplastic agent (CHEBI:35610)
orantinib (CHEBI:91088) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
orantinib (CHEBI:91088) has role vascular endothelial growth factor receptor antagonist (CHEBI:65207)
orantinib (CHEBI:91088) is a monocarboxylic acid (CHEBI:25384)
orantinib (CHEBI:91088) is a oxindoles (CHEBI:38459)
orantinib (CHEBI:91088) is a pyrroles (CHEBI:26455)
IUPAC Name 
3-{2,4-dimethyl-5-[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid
INN  Source
orantinibChemIDplus
Synonyms  Source
5-((1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-propanoic acidChemIDplus
SU6668ChemIDplus
3-(4-(2-Carboxyethyl)-3,5-dimethylpyrrol-2-methylidenyl)-2-indolinoneChemIDplus
SU 6668ChemIDplus
SU-6668ChemIDplus
TSU 68ChemIDplus
Manual XrefsDatabases
LSM-5664LINCS
Registry NumbersSources
Reaxys:14609648Reaxys
CAS:252916-29-3ChemIDplus
Citations