Details of the Drug

General Information of Drug (ID: DMVU9RG)

• Drug Name: Fused heterocyclic compound 1
• Synonyms: PMID27841045-Compound-123
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 317.32
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C14H11N3O4S
  IUPAC Name: 4-methyl-2-(1-methyl-7-nitroindol-5-yl)-1,3-thiazole-5-carboxylic acid
  Canonical SMILES: CC1=C(SC(=N1)C2=CC(=C3C(=C2)C=CN3C)[N+](=O)[O-])C(=O)O
  InChI: InChI=1S/C14H11N3O4S/c1-7-12(14(18)19)22-13(15-7)9-5-8-3-4-16(2)11(8)10(6-9)17(20)21/h3-6H,1-2H3,(H,18,19)
  InChIKey: YGQCHVOXQFVYAB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 58400451
  TTD ID: D0SY6J

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.