Details of the Drug

General Information of Drug (ID: DM10CGB)

• Drug Name: Fused heterocyclic compound 5
• Synonyms: PMID27841045-Compound-127
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 297.3
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C15H11N3O2S
  IUPAC Name: 2-(7-cyano-1-methylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
  Canonical SMILES: CC1=C(SC(=N1)C2=CC(=C3C(=C2)C=CN3C)C#N)C(=O)O
  InChI: InChI=1S/C15H11N3O2S/c1-8-13(15(19)20)21-14(17-8)10-5-9-3-4-18(2)12(9)11(6-10)7-16/h3-6H,1-2H3,(H,19,20)
  InChIKey: UKMCFVVQXUWRFF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46199187
  TTD ID: D0DQ6C

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.