Details of the Drug | DrugMAP

General Information of Drug (ID: DMO1NAR)

Drug Name	PMID27828716-Compound-21
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			305.3
	Topological Polar Surface Area (xlogp)			1.1
	Rotatable Bond Count (rotbonds)			1
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C18H15N3O2 IUPAC Name 3-(5-hydroxy-5,6,7,8-tetrahydroquinolin-2-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile Canonical SMILES C1CC(C2=C(C1)N=C(C=C2)C3C4=C(C=CC(=C4)C#N)NC3=O)O InChI InChI=1S/C18H15N3O2/c19-9-10-4-6-14-12(8-10)17(18(23)21-14)15-7-5-11-13(20-15)2-1-3-16(11)22/h4-8,16-17,22H,1-3H2,(H,21,23) InChIKey XZWVOUQIYLZUCJ-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 49831011 TTD ID D01WAJ

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.