Details of the Drug | DrugMAP

General Information of Drug (ID: DMNTZ93)

Drug Name	Thiadiazolidindione derivative 3
Synonyms	PMID27828716-Compound-6
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			252.29
	Logarithm of the Partition Coefficient (xlogp)			0.8
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C11H12N2O3S IUPAC Name 2-benzyl-4-(2-hydroxyethyl)-1,2,4-thiadiazolidine-3,5-dione Canonical SMILES C1=CC=C(C=C1)CN2C(=O)N(C(=O)S2)CCO InChI InChI=1S/C11H12N2O3S/c14-7-6-12-10(15)13(17-11(12)16)8-9-4-2-1-3-5-9/h1-5,14H,6-8H2 InChIKey DDYFMVMCMQSWNI-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 71715287 TTD ID D0CR2E

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.