Oxazolidinone-based allosteric modulators of mGluR5: Defining molecular switches to create a pharmacological tool box

Bioorg Med Chem Lett. 2016 Sep 1;26(17):4165-9. doi: 10.1016/j.bmcl.2016.07.065. Epub 2016 Jul 28.

Abstract

Herein we describe the structure activity relationships uncovered in the pursuit of an mGluR5 positive allosteric modulator (PAM) for the treatment of schizophrenia. It was discovered that certain modifications of an oxazolidinone-based chemotype afforded predictable changes in the pharmacological profile to give analogs with a wide range of functional activities. The discovery of potent silent allosteric modulators (SAMs) allowed interrogation of the mechanism-based liabilities associated with mGluR5 activation and drove our medicinal chemistry effort toward the discovery of low efficacy (fold shift) PAMs devoid of agonist activity. This work resulted in the identification of dipyridyl 22 (BMS-952048), a compound with a favorable free fraction, efficacy in a rodent-based cognition model, and low potential for convulsions in mouse.

Keywords: Cognition; Positive allosteric modulator; Schizophrenia; Silent allosteric modulator; mGlu5; mGluR5.

MeSH terms

  • Allosteric Regulation / drug effects
  • Animals
  • Convulsants / chemistry*
  • Convulsants / metabolism
  • Convulsants / pharmacology
  • Humans
  • Mice
  • Mice, Inbred C57BL
  • Oxazolidinones / chemistry*
  • Oxazolidinones / metabolism
  • Oxazolidinones / pharmacology
  • Rats
  • Receptor, Metabotropic Glutamate 5 / agonists
  • Receptor, Metabotropic Glutamate 5 / chemistry
  • Receptor, Metabotropic Glutamate 5 / metabolism*
  • Recognition, Psychology / drug effects
  • Structure-Activity Relationship

Substances

  • Convulsants
  • Oxazolidinones
  • Receptor, Metabotropic Glutamate 5