Details of the Drug

General Information of Drug (ID: DMDPHT1)

• Drug Name: Azole benzene derivative 4
• Synonyms: PMID27841045-Compound-149
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 372.4
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C18H20N4O3S
  IUPAC Name: 2-[4-(2,2-dimethylpropoxy)-3-(triazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
  Canonical SMILES: CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)(C)C)N3C=CN=N3)C(=O)O
  InChI: InChI=1S/C18H20N4O3S/c1-11-15(17(23)24)26-16(20-11)12-5-6-14(25-10-18(2,3)4)13(9-12)22-8-7-19-21-22/h5-9H,10H2,1-4H3,(H,23,24)
  InChIKey: MWDSDCKUTZIOBZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118555053
  TTD ID: D0XY7C

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.