Details of the Drug

General Information of Drug (ID: DMUCLAV)

Drug Name
5-Fluoro-2-sulfanyl-phenylphosphonic acid
Synonyms CHEMBL1170425; 5-Fluoro-2-sulfanyl-phenylphosphonic acid
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) 208.15
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C6H6FO3PS
IUPAC Name
(5-fluoro-2-sulfanylphenyl)phosphonic acid
Canonical SMILES
C1=CC(=C(C=C1F)P(=O)(O)O)S
InChI
InChI=1S/C6H6FO3PS/c7-4-1-2-6(12)5(3-4)11(8,9)10/h1-3,12H,(H2,8,9,10)
InChIKey
RDAVYJKCJHOMSD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
49799138
ChEBI ID
CHEMBL1170425
TTD ID
D09EHR

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.