Details of the Drug

General Information of Drug (ID: DMJG7M6)

• Drug Name: Azole benzene derivative 2
• Synonyms: PMID27841045-Compound-147
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 345.4
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C15H15N5O3S
  IUPAC Name: 4-methyl-2-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxylic acid
  Canonical SMILES: CC1=C(SC(=N1)C2=CC(=C(C=C2)OC(C)C)N3C=NN=N3)C(=O)O
  InChI: InChI=1S/C15H15N5O3S/c1-8(2)23-12-5-4-10(6-11(12)20-7-16-18-19-20)14-17-9(3)13(24-14)15(21)22/h4-8H,1-3H3,(H,21,22)
  InChIKey: GTRJSEARYANTGP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 78322305
  TTD ID: D06XJG

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.