Details of the Drug

General Information of Drug (ID: DM0KR8E)

• Drug Name: PMID27841045-Compound-136
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 304.3
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H12N2O3
  IUPAC Name: 4-(3-cyano-4-phenylpyrrol-1-yl)-2-hydroxybenzoic acid
  Canonical SMILES: C1=CC=C(C=C1)C2=CN(C=C2C#N)C3=CC(=C(C=C3)C(=O)O)O
  InChI: InChI=1S/C18H12N2O3/c19-9-13-10-20(11-16(13)12-4-2-1-3-5-12)14-6-7-15(18(22)23)17(21)8-14/h1-8,10-11,21H,(H,22,23)
  InChIKey: KTIOENPGGRVZED-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 59477789
  TTD ID: D0QY4O

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.