Development of VU6036864: A Triazolopyridine-Based High-Quality Antagonist Tool Compound of the M5 Muscarinic Acetylcholine Receptor

J Med Chem. 2024 Aug 22;67(16):14394-14413. doi: 10.1021/acs.jmedchem.4c01193. Epub 2024 Aug 6.

Abstract

While the muscarinic acetylcholine receptor mAChR subtype 5 (M5) has been studied over decades, recent findings suggest that more in-depth research is required to elucidate a thorough understanding of its physiological function related to neurological and psychiatric disorders. Our efforts to identify potent, selective, and pharmaceutically favorable next-generation M5 antagonist tool compounds have led to the discovery of a novel triazolopyridine-based series. In particular, VU6036864 (45) showed exquisite potency (human M5 IC50 = 20 nM), good subtype selectivity (>500 fold selectivity against human M1-4), desirable brain exposure (Kp = 0.68, Kp,uu = 0.65), and high oral bioavailability (%F > 100%). VU6036864 (45) and its close analogues will support further studies of M5 as advanced antagonist tool compounds and play an important role in the emerging biology of M5.

MeSH terms

  • Animals
  • Brain / drug effects
  • Brain / metabolism
  • CHO Cells
  • Cricetulus
  • Humans
  • Muscarinic Antagonists / chemical synthesis
  • Muscarinic Antagonists / chemistry
  • Muscarinic Antagonists / pharmacology
  • Pyridines* / chemical synthesis
  • Pyridines* / chemistry
  • Pyridines* / pharmacokinetics
  • Pyridines* / pharmacology
  • Rats
  • Receptor, Muscarinic M5* / antagonists & inhibitors
  • Receptor, Muscarinic M5* / metabolism
  • Structure-Activity Relationship
  • Triazoles / chemical synthesis
  • Triazoles / chemistry
  • Triazoles / pharmacology

Substances

  • Pyridines
  • Receptor, Muscarinic M5
  • Triazoles
  • Muscarinic Antagonists