Details of the Drug

General Information of Drug (ID: DMEQ3RD)

• Drug Name: Tri-substituted benzene derivative 1
• Synonyms: PMID26560362-Compound-91
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 428.4
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C17H18F2N4O5S
  IUPAC Name: N-(3,4-difluorophenyl)-3-(dimethylsulfamoylcarbamoylamino)-4-methoxybenzamide
  Canonical SMILES: CN(C)S(=O)(=O)NC(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)OC
  InChI: InChI=1S/C17H18F2N4O5S/c1-23(2)29(26,27)22-17(25)21-14-8-10(4-7-15(14)28-3)16(24)20-11-5-6-12(18)13(19)9-11/h4-9H,1-3H3,(H,20,24)(H2,21,22,25)
  InChIKey: VUAXXZRGLYBYPO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10113381
  TTD ID: D0OW2D

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 15-lipoxygenase (15-LOX)	TTN9T81	LOX15_HUMAN	Inhibitor	[1]

References

• [1] 15-Lipoxygenase inhibitors: a patent review.Expert Opin Ther Pat. 2016;26(1):65-88.