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CHEBI:78544 - GSK3-XIII

ChEBI IDCHEBI:78544
ChEBI NameGSK3-XIII
Stars
DefinitionA 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.
Last Modified4 February 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC18H15N5
Net Charge0
Average Mass301.353
Monoisotopic Mass301.13275
SMILESCc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)nn1
InChIInChI=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)
InChIKeyJYCUVOXSZBECAY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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).
ChEBI Ontology
Outgoing Relation(s)
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 XIIIChEBI
Registry NumbersSources
Reaxys:9930672Reaxys
Citations