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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:78544 - GSK3-XIII
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ChEBI Ontology
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ChEBI Name
GSK3-XIII
ChEBI ID
CHEBI:78544
Definition
A member of the class of aromatic amines that is ammonia with two of the hydrogens replaced by 5-methylpyrazol-3-yl and 2-phenylquinazolin-4-yl groups.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Margaret Duesbury
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Formula
C18H15N5
Net Charge
0
Average Mass
301.34520
Monoisotopic Mass
301.13275
InChI
InChI=1S/C18H15N5/c1-
12-
11-
16(23-
22-
12)
20-
18-
14-
9-
5-
6-
10-
15(14)
19-
17(21-
18)
13-
7-
3-
2-
4-
8-
13/h2-
11H,1H3,(H2,19,20,21,22,23)
InChIKey
JYCUVOXSZBECAY-UHFFFAOYSA-N
SMILES
Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)n[nH]1
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 2.7.11.26 (tau-protein kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of
tau
-protein kinase inhibitor (EC 2.7.11.26).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
GSK3-XIII (
CHEBI:78544
)
has role
EC 2.7.11.26 (
tau
-protein kinase) inhibitor (
CHEBI:91092
)
GSK3-XIII (
CHEBI:78544
)
is a
aromatic amine (
CHEBI:33860
)
GSK3-XIII (
CHEBI:78544
)
is a
pyrazoles (
CHEBI:26410
)
GSK3-XIII (
CHEBI:78544
)
is a
quinazolines (
CHEBI:38530
)
GSK3-XIII (
CHEBI:78544
)
is a
secondary amino compound (
CHEBI:50995
)
IUPAC Name
N
-(5-methyl-1
H
-pyrazol-3-yl)-2-phenylquinazolin-4-amine
Synonym
Source
GSK-3 inhibitor XIII
ChEBI
Registry Number
Type
Source
9930672
Reaxys Registry Number
Reaxys
Citations
Types
Sources
20127713
PubMed citation
Europe PMC
24695735
PubMed citation
SUBMITTER
Last Modified
04 February 2016