Details of the Drug | DrugMAP

General Information of Drug (ID: DM8V7QH)

Drug Name	PMID27828716-Compound-19
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			397.4
	Topological Polar Surface Area (xlogp)			4.3
	Rotatable Bond Count (rotbonds)			6
	Hydrogen Bond Donor Count (hbonddonor)			4
	Hydrogen Bond Acceptor Count (hbondacc)			7
Chemical Identifiers	Formula C21H19N9 IUPAC Name 6-benzyl-4-N-(1H-indazol-6-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine Canonical SMILES CC1=CC(=NN1)NC2=NC(=NC(=N2)NC3=CC4=C(C=C3)C=NN4)CC5=CC=CC=C5 InChI InChI=1S/C21H19N9/c1-13-9-19(30-28-13)26-21-25-18(10-14-5-3-2-4-6-14)24-20(27-21)23-16-8-7-15-12-22-29-17(15)11-16/h2-9,11-12H,10H2,1H3,(H,22,29)(H3,23,24,25,26,27,28,30) InChIKey OKPNIPFZIIYESG-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 9800945 TTD ID D08CWE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen synthase kinase-3 alpha (GSK-3A)	TTRZQE3	GSK3A_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2014-2015).Expert Opin Ther Pat. 2017 Jun;27(6):657-666.
2	Challenges and new opportunities in the investigation of new drug therapies to treat frontotemporal dementia. Expert Opin Ther Targets. 2008 Nov;12(11):1367-76.
3	The GSK3 kinase inhibitor lithium produces unexpected hyperphosphorylation of -catenin, a GSK3 substrate, in human glioblastoma cells. Biol Open. 2018 Jan 26;7(1):bio030874.