Details of the Drug

General Information of Drug (ID: DMOMGU5)

• Drug Name: Disulfiram analog 2
• Synonyms: PMID25468267-Compound-27
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 292.5
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H16N2S4
  IUPAC Name: pyrrolidine-1-carbothioylsulfanyl pyrrolidine-1-carbodithioate
  Canonical SMILES: C1CCN(C1)C(=S)SSC(=S)N2CCCC2
  InChI: InChI=1S/C10H16N2S4/c13-9(11-5-1-2-6-11)15-16-10(14)12-7-3-4-8-12/h1-8H2
  InChIKey: KCGUGVQODCQMBI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 575125
  CAS Number: 496-08-2
  TTD ID: D0JQ9Z

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine-specific demethylase 4A (KDM4A)	TTZHPB8	KDM4A_HUMAN	Inhibitor	[1]

References

• [1] KDM4 histone demethylase inhibitors for anti-cancer agents: a patent review.Expert Opin Ther Pat. 2015 Feb;25(2):135-44.