Details of the Drug

General Information of Drug (ID: DM9V13U)

• Drug Name: PMID26560362-Compound-90
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 311.2
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H12Cl2N2O2
  IUPAC Name: 3-amino-N-(3,4-dichlorophenyl)-4-methoxybenzamide
  Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)N
  InChI: InChI=1S/C14H12Cl2N2O2/c1-20-13-5-2-8(6-12(13)17)14(19)18-9-3-4-10(15)11(16)7-9/h2-7H,17H2,1H3,(H,18,19)
  InChIKey: ZKXFJDCWWSKUHN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9948627
  TTD ID: D0GL1X

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 15-lipoxygenase (15-LOX)	TTN9T81	LOX15_HUMAN	Inhibitor	[1]

References

• [1] 15-Lipoxygenase inhibitors: a patent review.Expert Opin Ther Pat. 2016;26(1):65-88.