Details of the Drug

General Information of Drug (ID: DM8HSBT)

Drug Name
2-mercaptophenylphosphonic acid
Synonyms 2-mercaptophenylphosphonic acid; CHEMBL1173336; SCHEMBL108541; (2-Mercaptophenyl)phosphonic 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) 190.16
Logarithm of the Partition Coefficient (xlogp) 0.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C6H7O3PS
IUPAC Name
(2-sulfanylphenyl)phosphonic acid
Canonical SMILES
C1=CC=C(C(=C1)P(=O)(O)O)S
InChI
InChI=1S/C6H7O3PS/c7-10(8,9)5-3-1-2-4-6(5)11/h1-4,11H,(H2,7,8,9)
InChIKey
XUDMIKRWJYMQKD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15738646
TTD ID
D06UHZ

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.