Discovery of Clinical Candidate ACT-777991, a Potent CXCR3 Antagonist for Antigen-Driven and Inflammatory Pathologies

J Med Chem. 2023 Mar 23;66(6):4179-4196. doi: 10.1021/acs.jmedchem.3c00074. Epub 2023 Mar 8.

Abstract

The CXCR3 chemokine receptor is a G protein-coupled receptor mainly expressed on immune cells from the lymphoid lineage, including activated T cells. Binding of its inducible chemokine ligands CXCL9, CXCL10, and CXCL11 leads to downstream signaling events and the migration of activated T cells to sites of inflammation. Herein, we report the third part of our CXCR3 antagonist program in the field of autoimmunity, culminating in the discovery of the clinical compound ACT-777991 (8a). A previously disclosed advanced molecule was exclusively metabolized by the CYP2D6 enzyme, and options to address the issue are described. ACT-777991 is a highly potent, insurmountable, and selective CXCR3 antagonist that showed dose-dependent efficacy and target engagement in a mouse model of acute lung inflammation. The excellent properties and safety profile warranted progress in the clinics.

MeSH terms

  • Animals
  • Chemokine CXCL10* / metabolism
  • Chemokine CXCL9
  • Ligands
  • Mice
  • Receptors, CXCR3 / metabolism
  • Receptors, Chemokine* / metabolism
  • Signal Transduction

Substances

  • Chemokine CXCL10
  • Chemokine CXCL9
  • Receptors, Chemokine
  • Ligands
  • Receptors, CXCR3