Details of the Drug

General Information of Drug (ID: DMQSWO8)

Drug Name

N-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-butyramide

Synonyms

CHEMBL198055; N-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-butyramide

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)

285.29

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H15NO4
IUPAC Name: N-hydroxy-4-oxo-4-(4-phenoxyphenyl)butanamide
Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CCC(=O)NO
InChI: InChI=1S/C16H15NO4/c18-15(10-11-16(19)17-20)12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-9,20H,10-11H2,(H,17,19)
InChIKey: NOELKUBXWDTLKR-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.