EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:61399 - canertinib

ChEBI IDCHEBI:61399
ChEBI Namecanertinib
Stars
DefinitionA quinazoline compound having a 3-chloro-4-fluoroanilino group at the 4-position, a propenamido group at the 6-position, and a 3-morpholinopropoxy group at the 7-position.
Last Modified24 February 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H25ClFN5O3
Net Charge0
Average Mass485.947
Monoisotopic Mass485.16300
SMILESC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
InChIKeyOMZCMEYTWSXEPZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
tyrosine kinase inhibitor  Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
canertinib (CHEBI:61399) has role antineoplastic agent (CHEBI:35610)
canertinib (CHEBI:61399) has role tyrosine kinase inhibitor (CHEBI:38637)
canertinib (CHEBI:61399) is a monochlorobenzenes (CHEBI:83403)
canertinib (CHEBI:61399) is a morpholines (CHEBI:38785)
canertinib (CHEBI:61399) is a organofluorine compound (CHEBI:37143)
canertinib (CHEBI:61399) is a quinazolines (CHEBI:38530)
IUPAC Name 
N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide
INN  Source
canertinibChemIDplus
Synonym  Source
CI-1033ChEBI
Manual XrefsDatabases
LSM-1120LINCS
Registry NumbersSources
CAS:267243-28-7ChemIDplus
Citations