Details of the Drug | DrugMAP

General Information of Drug (ID: DM5AUL0)

Drug Name	Thiadiazolidindione derivative 2
Synonyms	PMID27828716-Compound-5
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			292.36
	Topological Polar Surface Area (xlogp)			1.9
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			0
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C14H16N2O3S IUPAC Name 2-benzyl-4-(oxolan-2-ylmethyl)-1,2,4-thiadiazolidine-3,5-dione Canonical SMILES C1CC(OC1)CN2C(=O)N(SC2=O)CC3=CC=CC=C3 InChI InChI=1S/C14H16N2O3S/c17-13-15(10-12-7-4-8-19-12)14(18)20-16(13)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2 InChIKey AGFKNYDGTJNEDN-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 71715288 TTD ID D02OGA

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.