Details of the Drug

General Information of Drug (ID: DMANTW0)

• Drug Name: N-Hydroxy-N-methyl-3-naphthalen-2-yl-acrylamide
• Synonyms: CHEMBL63882; N-Hydroxy-N-methyl-3-naphthalen-2-yl-acrylamide; BDBM50015178; ZINC26247459; N-Methyl-N-hydroxy-2-naphthaleneacrylamide; (E)-N-hydroxy-N-methyl-3-(naphthalen-2-yl)acrylamide; (E)-3-(2-Naphthalenyl)-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); 227.26
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H13NO2
  IUPAC Name: (E)-N-hydroxy-N-methyl-3-naphthalen-2-ylprop-2-enamide
  Canonical SMILES: CN(C(=O)/C=C/C1=CC2=CC=CC=C2C=C1)O
  InChI: InChI=1S/C14H13NO2/c1-15(17)14(16)9-7-11-6-8-12-4-2-3-5-13(12)10-11/h2-10,17H,1H3/b9-7+
  InChIKey: CORKVTFWNIPMDF-VQHVLOKHSA-N
• Cross-matching ID:
  PubChem CID: 13687210
  TTD ID: D0E4JU

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] In vivo characterization of hydroxamic acid inhibitors of 5-lipoxygenase. J Med Chem. 1987 Nov;30(11):2121-6.