CHEBI:61399 - canertinib

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ChEBI Name canertinib
ChEBI ID CHEBI:61399
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H25ClFN5O3
Net Charge 0
Average Mass 485.93800
Monoisotopic Mass 485.163
InChI InChI=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)
InChIKey OMZCMEYTWSXEPZ-UHFFFAOYSA-N
SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Roles Classification
Biological Role(s): tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
canertinib ChemIDplus
Synonym Source
CI-1033 ChEBI
Database Link Database
LSM-1120 LINCS
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Registry Number Type Source
267243-28-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11706399 PubMed citation Europe PMC
15534081 PubMed citation Europe PMC
Last Modified
24 February 2016