Details of the Drug

General Information of Drug (ID: DM5AUL0)

• Drug Name: Thiadiazolidindione derivative 2
• Synonyms: PMID27828716-Compound-5
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 292.36
  Logarithm of the Partition Coefficient (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]

References

• [1] Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2014-2015).Expert Opin Ther Pat. 2017 Jun;27(6):657-666.