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CHEBI:63449 - SU5402

ChEBI IDCHEBI:63449
ChEBI NameSU5402
Stars
DefinitionAn oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 3-(2-carboxyethyl)-4-methyl-1H-pyrrol-2-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1.
Last Modified22 May 2012
SubmitterBijay
DownloadsMolfile
FormulaC17H16N2O3
Net Charge0
Average Mass296.326
Monoisotopic Mass296.11609
SMILES[H]C(=C1C(=O)Nc2ccccc21)c1ncc(C)c1CCC(=O)O
InChIInChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)
InChIKeyJNDVEAXZWJIOKB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
fibroblast growth factor receptor antagonist  An antagonist at the fibroblast growth factor receptor.
ChEBI Ontology
Outgoing Relation(s)
SU5402 (CHEBI:63449) has functional parent 3-methyleneoxindole (CHEBI:17920)
SU5402 (CHEBI:63449) has role fibroblast growth factor receptor antagonist (CHEBI:63457)
SU5402 (CHEBI:63449) is a monocarboxylic acid (CHEBI:25384)
SU5402 (CHEBI:63449) is a oxindoles (CHEBI:38459)
SU5402 (CHEBI:63449) is a pyrroles (CHEBI:26455)
IUPAC Name 
3-{4-methyl-2-[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid
Synonyms  Source
3-[3-(2-carboxyethyl)-4-methylpyrrol-2-methylidenyl]-2-indolinoneSUBMITTER
SU 5402ChEBI
SU-5402ChEBI
3-{[3-(2-carboxyethyl)-4-methylpyrrol-2-yl]methylene}-2-indolinoneChEBI
Su-5402ChEBI
Registry NumbersSources
Reaxys:8004406Reaxys