Details of the Drug

General Information of Drug (ID: DM86305)

Drug Name

[[N-(Benzyloxycarbonyl)Amino]Methyl]Phosphate

Synonyms

[[n-(benzyloxycarbonyl)amino]methyl]phosphate; (BENZYLOXYCARBONYLAMINO)METHYLPHOSPHONIC ACID; ({[(benzyloxy)carbonyl]amino}methyl)phosphonic acid; AC1L1CL8; SCHEMBL5586441; CHEMBL1232804; CTK7G8496; WUNKRZNFNIYEPN-UHFFFAOYSA-N; DB02642; (N-carbobenzoxy-amino)methylphosphonic acid; phenylmethoxycarbonylaminomethylphosphonic 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)

245.17

Logarithm of the Partition Coefficient (xlogp)

-0.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C9H12NO5P
IUPAC Name: phenylmethoxycarbonylaminomethylphosphonic acid
Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCP(=O)(O)O
InChI: InChI=1S/C9H12NO5P/c11-9(10-7-16(12,13)14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
InChIKey: WUNKRZNFNIYEPN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1950
DrugBank ID: DB02642
TTD ID: D0EK8U

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.