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> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C24H25ClFN5O3
Net Charge
0
Average Mass
485.93800
Monoisotopic Mass
485.16300
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
Manual Xref
Database
LSM-1120
LINCS
View more database links
Registry Number
Type
Source
267243-28-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11706399
PubMed citation
Europe PMC
15534081
PubMed citation
Europe PMC
Last Modified
24 February 2016