Structure-activity relationship exploration of Kv1.3 blockers based on diphenoxylate

Bioorg Med Chem Lett. 2012 Dec 1;22(23):7106-9. doi: 10.1016/j.bmcl.2012.09.080. Epub 2012 Sep 29.

Abstract

Diphenoxylate, a well-known opioid agonist and anti-diarrhoeal agent, was recently found to block Kv1.3 potassium channels, which have been proposed as potential therapeutic targets for a range of autoimmune diseases. The molecular basis for this Kv1.3 blockade was assessed by the selective removal of functional groups from the structure of diphenoxylate as well as a number of other structural variations. Removal of the nitrile functional group and replacement of the C-4 piperidinyl substituents resulted in several compounds with submicromolar IC(50) values.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Diphenoxylate / chemical synthesis
  • Diphenoxylate / chemistry*
  • Diphenoxylate / metabolism
  • Humans
  • Kinetics
  • Kv1.3 Potassium Channel / chemistry*
  • Kv1.3 Potassium Channel / metabolism
  • Potassium Channel Blockers / chemical synthesis
  • Potassium Channel Blockers / chemistry*
  • Potassium Channel Blockers / metabolism
  • Protein Binding
  • Structure-Activity Relationship

Substances

  • Kv1.3 Potassium Channel
  • Potassium Channel Blockers
  • Diphenoxylate