Details of the Drug

General Information of Drug (ID: DM8W3GC)

• Drug Name: 3-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acrylamide
• Synonyms: CHEMBL446362; 3-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acrylamide; BDBM50015130; (E)-3-[4-Butoxyphenyl]-N-methyl-2-propenehydroxamic acid

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); 249.3
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H19NO3
  IUPAC Name: (E)-3-(4-butoxyphenyl)-N-hydroxy-N-methylprop-2-enamide
  Canonical SMILES: CCCCOC1=CC=C(C=C1)/C=C/C(=O)N(C)O
  InChI: InChI=1S/C14H19NO3/c1-3-4-11-18-13-8-5-12(6-9-13)7-10-14(16)15(2)17/h5-10,17H,3-4,11H2,1-2H3/b10-7+
  InChIKey: HAQOPUCXUDNSDH-JXMROGBWSA-N
• Cross-matching ID:
  PubChem CID: 44387153
  TTD ID: D08UXT

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.