orantinib (CHEBI:91088)

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ChEBI Name	orantinib

ChEBI ID	CHEBI:91088

Definition	An 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C18H18N2O3

Net Charge

Average Mass

310.348

Monoisotopic Mass

310.13174

InChI

InChI=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)

InChIKey

NHFDRBXTEDBWCZ-UHFFFAOYSA-N

SMILES

N1C(C(C=2C=CC=CC12)=CC=3NC(=C(C3C)CCC(=O)O)C)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	vascular endothelial growth factor receptor antagonist An antagonist at the vascular endothelial growth factor receptor. 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).

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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
orantinib	ChemIDplus

Synonyms	Sources
3-(2,4-Dimethyl-5-(2-oxo-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrol-3-yl)propionic acid	ChemIDplus
3-(4-(2-Carboxyethyl)-3,5-dimethylpyrrol-2-methylidenyl)-2-indolinone	ChemIDplus
5-((1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-propanoic acid	ChemIDplus
SU 6668	ChemIDplus
SU-6668	ChemIDplus
SU6668	ChemIDplus
TSU 68	ChemIDplus

Last Modified

25 February 2016