Details of the Drug

General Information of Drug (ID: DMVQ4NS)

• Drug Name: Pyrimidine benzenesulfonamide derivative 2
• Synonyms: PMID27172114-Compound-63
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 419.9
  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: C19H15ClFN3O3S
  IUPAC Name: N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide
  Canonical SMILES: C1CC1OC2=C(C=C(C=C2)C3=CC(=NC=N3)NS(=O)(=O)C4=CC=C(C=C4)F)Cl
  InChI: InChI=1S/C19H15ClFN3O3S/c20-16-9-12(1-8-18(16)27-14-4-5-14)17-10-19(23-11-22-17)24-28(25,26)15-6-2-13(21)3-7-15/h1-3,6-11,14H,4-5H2,(H,22,23,24)
  InChIKey: NHNNNQMEILXDMV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71285521
  TTD ID: D0R5HG

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.