Details of the Drug

General Information of Drug (ID: DMB8NWI)

Drug Name

(P-Iodophenylacetylamino)Methylphosphinic Acid

Synonyms

(p-iodophenylacetylamino)methylphosphinic acid; AC1O3GBT; AC1L1B5E; C9H11INO3P; SCHEMBL4311614; [[2-(4-iodophenyl)acetyl]amino]methylphosphinic acid; (R)-({[(4-iodophenyl)acetyl]amino}methyl)phosphinic acid

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)

338.06

Logarithm of the Partition Coefficient (xlogp)

0.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C9H10INO3P+
IUPAC Name: hydroxy-[[[2-(4-iodophenyl)acetyl]amino]methyl]-oxophosphanium
Canonical SMILES: C1=CC(=CC=C1CC(=O)NC[P+](=O)O)I
InChI: InChI=1S/C9H9INO3P/c10-8-3-1-7(2-4-8)5-9(12)11-6-15(13)14/h1-4H,5-6H2,(H-,11,12,13,14)/p+1
InChIKey: HVYODBROOQYJGM-UHFFFAOYSA-O

Cross-matching ID

PubChem CID: 6327749
DrugBank ID: DB04123
TTD ID: D0R5FE

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]

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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.