Details of the Drug

General Information of Drug (ID: DM16G80)

• Drug Name: N-Hydroxy-4-isobutyl-benzamide
• Synonyms: CHEMBL439659; N-Hydroxy-4-isobutyl-benzamide; SCHEMBL6919015; BDBM50015175; 4-(2-Methylpropyl)benzohydroximic 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); 193.24
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C11H15NO2
  IUPAC Name: N-hydroxy-4-(2-methylpropyl)benzamide
  Canonical SMILES: CC(C)CC1=CC=C(C=C1)C(=O)NO
  InChI: InChI=1S/C11H15NO2/c1-8(2)7-9-3-5-10(6-4-9)11(13)12-14/h3-6,8,14H,7H2,1-2H3,(H,12,13)
  InChIKey: ACMIPAPWWYGZNO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 20771934
  TTD ID: D0L3BQ

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.