Details of the Drug

General Information of Drug (ID: DMQ4ST2)

• Drug Name: N-Hydroxy-N-methyl-2,3,3-triphenyl-acrylamide
• Synonyms: CHEMBL174161; N-Hydroxy-N-methyl-2,3,3-triphenyl-acrylamide; BDBM50015154; 2,3,3-Triphenyl-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); 329.4
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C22H19NO2
  IUPAC Name: N-hydroxy-N-methyl-2,3,3-triphenylprop-2-enamide
  Canonical SMILES: CN(C(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3)O
  InChI: InChI=1S/C22H19NO2/c1-23(25)22(24)21(19-15-9-4-10-16-19)20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,25H,1H3
  InChIKey: ORTZIDPYVDIVSI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44386837
  TTD ID: D06GRW

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.