CHEBI:78544 - GSK3-XIII

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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
Supplier Information
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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 (Bronsted 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-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
Synonym Source
GSK-3 inhibitor XIII ChEBI
Registry Number Type Source
9930672 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20127713 PubMed citation Europe PMC
24695735 PubMed citation SUBMITTER
Last Modified
04 February 2016