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CHEBI:143112 - N-[5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-yl]-N2,N2-dimethylglycinamide

ChEBI IDCHEBI:143112
ChEBI NameN-[5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-yl]-N2,N2-dimethylglycinamide
Stars
ASCII NameN-[5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-yl]-N(2),N(2)-dimethylglycinamide
DefinitionA member of the class of indazoles that is 1H-indazole which is substituted by a (N,N-dimethylglycyl)nitrilo group and a 1-benzyl-1H-1,2,3-triazol-4-yl group at positions 3 and 5, respectively. It is a GSK-3β, CDK1, CDK2, CSNK1G2 and CLK4 kinase inhibitor.
Last Modified15 March 2019
SubmitterTim Willson
DownloadsMolfile
FormulaC20H21N7O
Net Charge0
Average Mass375.436
Monoisotopic Mass375.18076
SMILESCN(C)CC(=O)Nc1nnc2ccc(-c3cn(Cc4ccccc4)nn3)cc12
InChIInChI=1S/C20H21N7O/c1-26(2)13-19(28)21-20-16-10-15(8-9-17(16)22-24-20)18-12-27(25-23-18)11-14-6-4-3-5-7-14/h3-10,12H,11,13H2,1-2H3,(H2,21,22,24,28)
InChIKeyFLHJZUQGFPJXRD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
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).
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.
ChEBI Ontology
Outgoing Relation(s)
N-[5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-yl]-N2,N2-dimethylglycinamide (CHEBI:143112) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
N-[5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-yl]-N2,N2-dimethylglycinamide (CHEBI:143112) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
N-[5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-yl]-N2,N2-dimethylglycinamide (CHEBI:143112) has role EC 2.7.11.26 (tau-protein kinase) inhibitor (CHEBI:91092)
N-[5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-yl]-N2,N2-dimethylglycinamide (CHEBI:143112) is a benzenes (CHEBI:22712)
N-[5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-yl]-N2,N2-dimethylglycinamide (CHEBI:143112) is a indazoles (CHEBI:38769)
N-[5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-yl]-N2,N2-dimethylglycinamide (CHEBI:143112) is a secondary carboxamide (CHEBI:140325)
N-[5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-yl]-N2,N2-dimethylglycinamide (CHEBI:143112) is a tertiary amino compound (CHEBI:50996)
N-[5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-yl]-N2,N2-dimethylglycinamide (CHEBI:143112) is a triazoles (CHEBI:35727)
IUPAC Name 
N-[5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-yl]-N2,N2-dimethylglycinamide
Synonyms  Source
N-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-2-(dimethylamino)acetamideChEBI
AKI00000062aChEBI
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