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> Main
CHEBI:82713 - SB220025
Main
ChEBI Ontology
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ChEBI Name
SB220025
ChEBI ID
CHEBI:82713
Definition
Am member of the class of imidazoles carrying piperidin-4-yl, 4-fluophenyl and 2-aminopyrimidin-4-yl substituents at posiitons 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
C18H19FN6
Net Charge
0
Average Mass
338.38210
Monoisotopic Mass
338.16552
InChI
InChI=1S/C18H19FN6/c19-
13-
3-
1-
12(2-
4-
13)
16-
17(15-
7-
10-
22-
18(20)
24-
15)
25(11-
23-
16)
14-
5-
8-
21-
9-
6-
14/h1-
4,7,10-
11,14,21H,5-
6,8-
9H2,(H2,20,22,24)
InChIKey
VSPFURGQAYMVAN-UHFFFAOYSA-N
SMILES
Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
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):
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).
Application
(s):
angiogenesis inhibitor
An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
SB220025 (
CHEBI:82713
)
has role
angiogenesis inhibitor (
CHEBI:48422
)
SB220025 (
CHEBI:82713
)
has role
anti-inflammatory agent (
CHEBI:67079
)
SB220025 (
CHEBI:82713
)
has role
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (
CHEBI:79091
)
SB220025 (
CHEBI:82713
)
is a
aminopyrimidine (
CHEBI:38338
)
SB220025 (
CHEBI:82713
)
is a
imidazoles (
CHEBI:24780
)
SB220025 (
CHEBI:82713
)
is a
organofluorine compound (
CHEBI:37143
)
SB220025 (
CHEBI:82713
)
is a
piperidines (
CHEBI:26151
)
IUPAC Name
4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1
H
-imidazol-5-yl]pyrimidin-2-amine
Synonyms
Sources
SB 220025
ChEBI
SB-220025
ChEBI
Manual Xrefs
Databases
DB04338
DrugBank
SB4
PDBeChem
View more database links
Registry Number
Type
Source
9007200
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22138711
PubMed citation
Europe PMC
9454815
PubMed citation
Europe PMC
Last Modified
25 September 2014