Details of the Drug

General Information of Drug (ID: DMVSI6R)

• Drug Name: 2-[(Dioxidophosphino)Oxy]Benzoate
• Synonyms: 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE; 2-phosphooxybenzoate; 2-(phosphooxy)benzoate; AC1NR9RL; AC1O4QG1; 2-oxidophosphonoyloxybenzoate; 2-[(dioxidophosphanyl)oxy]benzoate; 2-[(Dioxidophosphoranyl)oxy]benzoate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 199.08
  Logarithm of the Partition Coefficient (xlogp); 1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C7H4O5P-
  Canonical SMILES: C1=CC=C(C(=C1)C(=O)[O-])OP(=O)=O
  InChI: InChI=1S/C7H5O5P/c8-7(9)5-3-1-2-4-6(5)12-13(10)11/h1-4H,(H,8,9)/p-1
  InChIKey: CEHNRTFNHMGQGW-UHFFFAOYSA-M
• Cross-matching ID:
  PubChem CID: 6398365
  DrugBank ID: DB04340
  TTD ID: D05PXD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial DD-carboxypeptidase (Bact vanYB)	TTLP6GN	VANY_ENTFA	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.