Details of the Drug

General Information of Drug (ID: DMOEFD3)

• Drug Name: Disulfiram analog 1
• Synonyms: PMID25468267-Compound-26
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 240.4
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C6H12N2S4
  IUPAC Name: ethylcarbamothioylsulfanyl N-ethylcarbamodithioate
  Canonical SMILES: CCNC(=S)SSC(=S)NCC
  InChI: InChI=1S/C6H12N2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
  InChIKey: AMFIBVNSEBYBAM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 6451399
  CAS Number: 2438-91-7
  TTD ID: D05PXW

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.