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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:38927 - pelitinib
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ChEBI Ontology
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ChEBI Name
pelitinib
ChEBI ID
CHEBI:38927
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C24H23ClFN5O2
Net Charge
0
Average Mass
467.92302
Monoisotopic Mass
467.15243
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 (Br
o
nsted 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
(2
E
)-
N
-
{4-
[(3-
chloro-
4-
fluorophenyl)amino]-
3-
cyano-
7-
ethoxyquinolin-
6-
yl}-
4-
(dimethylamino)but-
2-
enamide
Synonyms
Sources
(2
E
)-
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