Details of the Drug | DrugMAP

General Information of Drug (ID: DMR7V9E)

Drug Name	PMID27828716-Compound-17
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			335.32
	Topological Polar Surface Area (xlogp)			1.1
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			7
Chemical Identifiers	Formula C16H13N7O2 IUPAC Name 5-(4-methoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one Canonical SMILES COC1=CC=C(C=C1)N2C(=O)C=C3C(=N2)C(=NN3)NC4=NC=CC=N4 InChI InChI=1S/C16H13N7O2/c1-25-11-5-3-10(4-6-11)23-13(24)9-12-14(22-23)15(21-20-12)19-16-17-7-2-8-18-16/h2-9,20H,1H3,(H,17,18,19,21) InChIKey SSEXHPVKWUREDI-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 10065515 TTD ID D0J9YX

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.