Details of the Drug

General Information of Drug (ID: DMDTX4L)

Drug Name

N-Hydroxycarbamoylmethyl-4-phenoxy-benzamide

Synonyms

CHEMBL198543; N-Hydroxycarbamoylmethyl-4-phenoxy-benzamide

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)

286.28

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H14N2O4
IUPAC Name: N-[2-(hydroxyamino)-2-oxoethyl]-4-phenoxybenzamide
Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NCC(=O)NO
InChI: InChI=1S/C15H14N2O4/c18-14(17-20)10-16-15(19)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9,20H,10H2,(H,16,19)(H,17,18)
InChIKey: NBSITGWGPCATOG-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-1 (MMP-1)	TTMX39J	MMP1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Receptor flexibility in de novo ligand design and docking. J Med Chem. 2005 Oct 20;48(21):6585-96.