Details of the Drug

General Information of Drug (ID: DMDIC39)

Drug Name
Fosfosal
Synonyms Disdolen (TN)
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 218.1
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C7H7O6P
IUPAC Name
2-phosphonooxybenzoic acid
Canonical SMILES
C1=CC=C(C(=C1)C(=O)O)OP(=O)(O)O
InChI
InChI=1S/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)
InChIKey
FFKUDWZICMJVPA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3418
ChEBI ID
CHEMBL287275
CAS Number
6064-83-1
TTD ID
D0N3UL
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostaglandin G/H synthase (COX) TTK0943 PGH1_HUMAN ; PGH2_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.