Details of the Drug

General Information of Drug (ID: DMZ4B3W)

• Drug Name: Dimethoxybenzylidene-2-thio-imidazole-4-one derivative 1
• Synonyms: PMID27998201-Compound-16

Indication

Disease Entry	ICD 11	Status	REF
Cerebral ischemia	8B11	Patented	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 264.3
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H12N2O3S
  IUPAC Name: (5Z)-5-[(3,5-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
  Canonical SMILES: COC1=CC(=CC(=C1)/C=C\\2/C(=O)NC(=S)N2)OC
  InChI: InChI=1S/C12H12N2O3S/c1-16-8-3-7(4-9(6-8)17-2)5-10-11(15)14-12(18)13-10/h3-6H,1-2H3,(H2,13,14,15,18)/b10-5-
  InChIKey: SXBGOUWIALXAOL-YHYXMXQVSA-N
• Cross-matching ID:
  PubChem CID: 1720818
  TTD ID: D0UX4J

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cathepsin B (CTSB)	TTF2LRI	CATB_HUMAN	Inhibitor	[1]

References

• [1] Cathepsin B and L inhibitors: a patent review (2010 - present).Expert Opin Ther Pat. 2017 Jun;27(6):643-656.