Details of the Drug

General Information of Drug (ID: DMOEFD3)

Drug Name
Disulfiram analog 1
Synonyms PMID25468267-Compound-26
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL3347572
CAS Number
2438-91-7
TTD ID
D05PXW
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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