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

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ChEBI Name	N-[5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-yl]-N²,N²-dimethylglycinamide

ChEBI ID	CHEBI:143112

ChEBI ASCII Name	N-[5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-yl]-N(2),N(2)-dimethylglycinamide

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Tim Willson

Supplier Information

Download	Molfile XML SDF

Formula

C20H21N7O

Net Charge

Average Mass

375.436

Monoisotopic Mass

375.18076

InChI

InChI=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)

InChIKey

FLHJZUQGFPJXRD-UHFFFAOYSA-N

SMILES

O=C(CN(C)C)NC1=NNC2=CC=C(C3=CN(CC4=CC=CC=C4)N=N3)C=C21

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 2.7.11.1 (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. 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).

ChEBI Ontology
Outgoing	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	Sources
AKI00000062a	ChEBI
N-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-2-(dimethylamino)acetamide	ChEBI

Last Modified

15 March 2019