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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:90681 - SB-239063
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ChEBI Ontology
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ChEBI Name
SB-239063
ChEBI ID
CHEBI:90681
Definition
A member of the class of imidazoles carrying 4-hydroxycyclohexyl, 4-fluorophenyl and 2-methoxypyrimidin-4-yl substituents at positions 1, 4 and 5 respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Matthias Ziehm
Supplier Information
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Formula
C20H21FN4O2
Net Charge
0
Average Mass
368.405
Monoisotopic Mass
368.16485
InChI
InChI=1S/C20H21FN4O2/c1-
27-
20-
22-
11-
10-
17(24-
20)
19-
18(13-
2-
4-
14(21)
5-
3-
13)
23-
12-
25(19)
15-
6-
8-
16(26)
9-
7-
15/h2-
5,10-
12,15-
16,26H,6-
9H2,1H3/t15-
,16-
InChIKey
ZQUSFAUAYSEREK-WKILWMFISA-N
SMILES
C=1(N(C=NC1C=2C=CC(=CC2)F)[C@H]3CC[C@@H](CC3)O)C4=NC(OC)=NC=C4
Roles Classification
Biological Role
(s):
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
SB-239063 (
CHEBI:90681
)
has role
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (
CHEBI:79091
)
SB-239063 (
CHEBI:90681
)
is a
aromatic ether (
CHEBI:35618
)
SB-239063 (
CHEBI:90681
)
is a
cyclohexanols (
CHEBI:23480
)
SB-239063 (
CHEBI:90681
)
is a
imidazoles (
CHEBI:24780
)
SB-239063 (
CHEBI:90681
)
is a
monofluorobenzenes (
CHEBI:83575
)
SB-239063 (
CHEBI:90681
)
is a
pyrimidines (
CHEBI:39447
)
SB-239063 (
CHEBI:90681
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
trans
-
4-
[4-
(4-
fluorophenyl)-
5-
(2-
methoxypyrimidin-
4-
yl)-
1
H
-
imidazol-
1-
yl]cyclohexan-
1-
ol
Synonyms
Sources
SB 239063
ChEBI
SB239063
ChEBI
Manual Xref
Database
SB0
PDBeChem
View more database links
Registry Numbers
Types
Sources
193551-21-2
CAS Registry Number
ChemIDplus
9010076
Reaxys Registry Number
Reaxys
Citations
Types
Sources
23840427
PubMed citation
Europe PMC
24188200
PubMed citation
Europe PMC
24307181
PubMed citation
Europe PMC
Last Modified
08 July 2016