Details of the Drug

General Information of Drug (ID: DMQN6CL)

Drug Name

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

Synonyms

CHEMBL366010; N-Hydroxy-4-(4-methoxy-phenyl)-4-oxo-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)

223.22

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C11H13NO4
IUPAC Name: N-hydroxy-4-(4-methoxyphenyl)-4-oxobutanamide
Canonical SMILES: COC1=CC=C(C=C1)C(=O)CCC(=O)NO
InChI: InChI=1S/C11H13NO4/c1-16-9-4-2-8(3-5-9)10(13)6-7-11(14)12-15/h2-5,15H,6-7H2,1H3,(H,12,14)
InChIKey: YUAIIHPYXRCTLQ-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.