Discovery of bioavailable 4,4-disubstituted piperidines as potent ligands of the chemokine receptor 5 and inhibitors of the human immunodeficiency virus-1

J Med Chem. 2008 Oct 23;51(20):6538-46. doi: 10.1021/jm800598a. Epub 2008 Sep 24.

Abstract

We describe robust chemical approaches toward putative CCR5 scaffolds designed in our laboratories. Evaluation of analogues in the (125)I-[MIP-1beta] binding and Ba-L-HOS antiviral assays resulted in the discovery of 64 and 68 in the 4,4-disubstitited piperidine class H, both potent CCR5 ligands (pIC 50 = 8.30 and 9.00, respectively) and HIV-1 inhibitors (pIC 50 = 7.80 and 7.84, respectively, in Ba-L-HOS assay). In addition, 64 and 68 were bioavailable in rodents, establishing them as lead molecules for further optimization toward CCR5 clinical candidates.

MeSH terms

  • Antiviral Agents / chemical synthesis*
  • Antiviral Agents / chemistry
  • Antiviral Agents / pharmacology*
  • Drug Evaluation, Preclinical
  • HIV-1 / drug effects*
  • Ligands
  • Molecular Structure
  • Piperidines / chemical synthesis*
  • Piperidines / chemistry
  • Piperidines / pharmacology*
  • Receptors, CCR5 / chemistry*
  • Receptors, CCR5 / metabolism*
  • Structure-Activity Relationship

Substances

  • Antiviral Agents
  • Ligands
  • Piperidines
  • Receptors, CCR5
  • piperidine