Details of the Drug

General Information of Drug (ID: DMOMGU5)

Drug Name
Disulfiram analog 2
Synonyms PMID25468267-Compound-27
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL583959
CAS Number
496-08-2
TTD ID
D0JQ9Z
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.