CHEBI:38927 - pelitinib

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ChEBI Name pelitinib
ChEBI ID CHEBI:38927
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H23ClFN5O2
Net Charge 0
Average Mass 467.92302
Monoisotopic Mass 467.152
InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
InChIKey WVUNYSQLFKLYNI-AATRIKPKSA-N
SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): protein kinase inhibitor
An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pelitinib (CHEBI:38927) has role protein kinase inhibitor (CHEBI:37699)
pelitinib (CHEBI:38927) is a aminoquinoline (CHEBI:36709)
pelitinib (CHEBI:38927) is a monocarboxylic acid amide (CHEBI:29347)
pelitinib (CHEBI:38927) is a monochlorobenzenes (CHEBI:83403)
pelitinib (CHEBI:38927) is a nitrile (CHEBI:18379)
Incoming linkable pelitinib analogue (CHEBI:39085) has functional parent pelitinib (CHEBI:38927)
IUPAC Name
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide
Synonyms Sources
(2E)-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide ChemIDplus
EKB-569 ChemIDplus
Pelitinib ChemIDplus
Registry Number Type Source
257933-82-7 CAS Registry Number ChemIDplus
Last Modified
24 October 2014