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CHEBI:38927 - pelitinib

ChEBI IDCHEBI:38927
ChEBI Namepelitinib
Stars
Last Modified24 October 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H23ClFN5O2
Net Charge0
Average Mass467.932
Monoisotopic Mass467.15243
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
InChIInChI=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+
InChIKeyWVUNYSQLFKLYNI-AATRIKPKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
protein kinase inhibitor  An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
PelitinibChemIDplus
(2E)-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamideChemIDplus
EKB-569ChemIDplus
Registry NumbersSources
CAS:257933-82-7ChemIDplus