Details of the Drug

General Information of Drug (ID: DMP7CF8)

• Drug Name: 2-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acetamide
• Synonyms: CHEMBL368604; 2-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acetamide; KUC110092N; ZINC28096255; BDBM50015186; KSC-229-6-1

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 237.29
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H19NO3
  IUPAC Name: 2-(4-butoxyphenyl)-N-hydroxy-N-methylacetamide
  Canonical SMILES: CCCCOC1=CC=C(C=C1)CC(=O)N(C)O
  InChI: InChI=1S/C13H19NO3/c1-3-4-9-17-12-7-5-11(6-8-12)10-13(15)14(2)16/h5-8,16H,3-4,9-10H2,1-2H3
  InChIKey: JGCLGKCTJPLHOR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44386193
  TTD ID: D0IF2H

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 5-lipoxygenase (5-LOX)	TT2J34L	LOX5_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Arachidonate 5-lipoxygenase (5-LOX)	DTT	ALOX5	4.15E-01	-0.06	-0.15

References

• [1] Hydroxamic acid inhibitors of 5-lipoxygenase: quantitative structure-activity relationships. J Med Chem. 1990 Mar;33(3):992-8.