Successful reduction of off-target hERG toxicity by structural modification of a T-type calcium channel blocker

Bioorg Med Chem Lett. 2014 Feb 1;24(3):880-3. doi: 10.1016/j.bmcl.2013.12.078. Epub 2013 Dec 27.

Abstract

To obtain an optimized T-type calcium channel blocker with reduced off-target hERG toxicity, we modified the structure of the original compound by introducing a zwitterion and reducing the basicity of the nitrogen. Among the structurally modified compounds we designed, compounds 5 and 6, which incorporate amides in place of the original compound's amines, most appreciably alleviated hERG toxicity while maintaining T-type calcium channel blocking activity. Notably, the benzimidazole amide 5 selectively blocked T-type calcium channels without inhibiting hERG (hERG/T-type⩾220) and L-type channels (L-type/T-type=96), and exhibited an excellent pharmacokinetic profile in rats.

Keywords: L-type calcium channel; Pharmacokinetics; T-type calcium channel blocker; hERG.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Administration, Oral
  • Amides / chemistry
  • Amines / chemistry
  • Animals
  • Calcium Channel Blockers / chemical synthesis
  • Calcium Channel Blockers / chemistry*
  • Calcium Channel Blockers / pharmacology
  • Calcium Channel Blockers / toxicity
  • Calcium Channels, T-Type / drug effects
  • ERG1 Potassium Channel
  • Ether-A-Go-Go Potassium Channels / antagonists & inhibitors*
  • Molecular Structure
  • Quaternary Ammonium Compounds / chemistry
  • Rats

Substances

  • Amides
  • Amines
  • Calcium Channel Blockers
  • Calcium Channels, T-Type
  • ERG1 Potassium Channel
  • Ether-A-Go-Go Potassium Channels
  • Quaternary Ammonium Compounds