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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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