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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:82708 - AT7867
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ChEBI Ontology
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ChEBI Name
AT7867
ChEBI ID
CHEBI:82708
Definition
A member of the class of piperidines carrying two aryl substituents (4-chlorophenyl and 4-(pyrazol-4-yl)phenyl) at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Matthias Ziehm
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Formula
C20H20ClN3
Net Charge
0
Average Mass
337.84600
Monoisotopic Mass
337.13458
InChI
InChI=1S/C20H20ClN3/c21-
19-
7-
5-
18(6-
8-
19)
20(9-
11-
22-
12-
10-
20)
17-
3-
1-
15(2-
4-
17)
16-
13-
23-
24-
14-
16/h1-
8,13-
14,22H,9-
12H2,(H,23,24)
InChIKey
LZMOSYUFVYJEPY-UHFFFAOYSA-N
SMILES
Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1
Roles Classification
Biological Role
(s):
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
AT7867 (
CHEBI:82708
)
has role
antineoplastic agent (
CHEBI:35610
)
AT7867 (
CHEBI:82708
)
has role
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (
CHEBI:50925
)
AT7867 (
CHEBI:82708
)
is a
monochlorobenzenes (
CHEBI:83403
)
AT7867 (
CHEBI:82708
)
is a
piperidines (
CHEBI:26151
)
AT7867 (
CHEBI:82708
)
is a
pyrazoles (
CHEBI:26410
)
IUPAC Name
4-(4-chlorophenyl)-4-[4-(1
H
-pyrazol-4-yl)phenyl]piperidine
Manual Xrefs
Databases
DB07859
DrugBank
GVP
PDBeChem
LSM-1155
LINCS
View more database links
Registry Number
Type
Source
11072816
Reaxys Registry Number
Reaxys
Citation
Type
Source
20423992
PubMed citation
Europe PMC
Last Modified
24 February 2016