Details of the Drug

General Information of Drug (ID: DMZR0TH)

• Drug Name: Triazole derivative 3
• Synonyms: PMID26560362-Compound-32
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 223.62
  Logarithm of the Partition Coefficient (xlogp); 0.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C8H6ClN5O
  IUPAC Name: N-(5-chloropyridin-2-yl)-2H-triazole-4-carboxamide
  Canonical SMILES: C1=CC(=NC=C1Cl)NC(=O)C2=NNN=C2
  InChI: InChI=1S/C8H6ClN5O/c9-5-1-2-7(10-3-5)12-8(15)6-4-11-14-13-6/h1-4H,(H,10,12,15)(H,11,13,14)
  InChIKey: RVQBIGKKUXHYRZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16663189
  TTD ID: D09AXR

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.