Details of the Drug

General Information of Drug (ID: DMD6GNO)

• Drug Name: Pyrimidine benzenesulfonamide derivative 1
• Synonyms: PMID27172114-Compound-62
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 401.9
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C19H16ClN3O3S
  IUPAC Name: N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]benzenesulfonamide
  Canonical SMILES: C1CC1OC2=C(C=C(C=C2)C3=CC(=NC=N3)NS(=O)(=O)C4=CC=CC=C4)Cl
  InChI: InChI=1S/C19H16ClN3O3S/c20-16-10-13(6-9-18(16)26-14-7-8-14)17-11-19(22-12-21-17)23-27(24,25)15-4-2-1-3-5-15/h1-6,9-12,14H,7-8H2,(H,21,22,23)
  InChIKey: AJZPXSIAEFVSBW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71282692
  TTD ID: D0T8AS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Kynurenine 3-hydroxylase (KMO)	TTIY56R	KMO_HUMAN	Inhibitor	[1]

References

• [1] Inhibitors of the kynurenine pathway as neurotherapeutics: a patent review (2012-2015).Expert Opin Ther Pat. 2016 Jul;26(7):815-32.