Details of the Drug

General Information of Drug (ID: DM0E8YF)

• Drug Name: Azole benzene derivative 1
• Synonyms: PMID27841045-Compound-146
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 358.4
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C17H18N4O3S
  IUPAC Name: 4-methyl-2-[4-(2-methylpropoxy)-3-(triazol-1-yl)phenyl]-1,3-thiazole-5-carboxylic acid
  Canonical SMILES: CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)N3C=CN=N3)C(=O)O
  InChI: InChI=1S/C17H18N4O3S/c1-10(2)9-24-14-5-4-12(8-13(14)21-7-6-18-20-21)16-19-11(3)15(25-16)17(22)23/h4-8,10H,9H2,1-3H3,(H,22,23)
  InChIKey: VBUUZRSRCDYYFW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 76900398
  TTD ID: D0VY5N

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Xanthine dehydrogenase/oxidase (XDH)	TT7RJY8	XDH_HUMAN	Inhibitor	[1]

References

• [1] An updated patent review: xanthine oxidase inhibitors for the treatment of hyperuricemia and gout (2011-2015).Expert Opin Ther Pat. 2017 Mar;27(3):311-345.