Details of the Drug

General Information of Drug (ID: DM19NAI)

Drug Name
Alpha-Sulfanylpropylphosphonic acid
Synonyms SCHEMBL2530501
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 156.14
Logarithm of the Partition Coefficient (xlogp) -0.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C3H9O3PS
IUPAC Name
1-sulfanylpropylphosphonic acid
Canonical SMILES
CCC(P(=O)(O)O)S
InChI
InChI=1S/C3H9O3PS/c1-2-3(8)7(4,5)6/h3,8H,2H2,1H3,(H2,4,5,6)
InChIKey
PMCCSSODVYHTNA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46855908
ChEBI ID
CHEMBL1172388
TTD ID
D03JFU
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
Staphylococcus Beta-lactamase (Stap-coc blaZ) TTHI19T BLAC_STAAU Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Mercaptophosphonate compounds as broad-spectrum inhibitors of the metallo-beta-lactamases. J Med Chem. 2010 Jul 8;53(13):4862-76.