Details of the Drug

General Information of Drug (ID: DMZ3INJ)

• Drug Name: N-Hydroxy-3-naphthalen-2-yl-acrylamide
• Synonyms: CHEMBL155443; N-Hydroxy-3-naphthalen-2-yl-acrylamide; N-Hydroxy-2-naphthaleneacrylamide; BDBM50015170; ZINC27654302; (E)-3-(2-Naphthalenyl)-2-propenehydroximic 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); 213.23
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C13H11NO2
  IUPAC Name: (E)-N-hydroxy-3-naphthalen-2-ylprop-2-enamide
  Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)/C=C/C(=O)NO
  InChI: InChI=1S/C13H11NO2/c15-13(14-16)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9,16H,(H,14,15)/b8-6+
  InChIKey: NJQJPKBDKOPBGI-SOFGYWHQSA-N
• Cross-matching ID:
  PubChem CID: 13687209
  TTD ID: D09PDD

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.