Inhibitors of HIV-1 attachment. Part 10. The discovery and structure-activity relationships of 4-azaindole cores

Bioorg Med Chem Lett. 2013 Jan 1;23(1):213-7. doi: 10.1016/j.bmcl.2012.10.120. Epub 2012 Nov 7.

Abstract

A series of 4-azaindole oxoacetic acid piperazine benzamides was synthesized and evaluated in an effort to identify an oral HIV-1 attachment inhibitor with the potential to improve upon the pre-clinical profile of BMS-378806 (7), an initial clinical compound. Modifications at the 7-position of the 4-azaindole core modulated potency significantly and SAR showed that certain compounds with a 5-membered ring heteroaryl group at that position were the most potent. Four of the compounds with the best profiles were evaluated in a rat pharmacokinetic model and all had superior oral bioavailability and lower clearance when compared with 7.

MeSH terms

  • Administration, Oral
  • Animals
  • Anti-HIV Agents / chemical synthesis
  • Anti-HIV Agents / chemistry*
  • Anti-HIV Agents / pharmacokinetics
  • Biological Availability
  • Drug Evaluation, Preclinical
  • HIV-1 / drug effects
  • HIV-1 / metabolism*
  • Half-Life
  • Humans
  • Indoles / chemistry*
  • Piperazines / chemistry
  • Piperazines / pharmacokinetics
  • Rats
  • Structure-Activity Relationship
  • Virus Attachment / drug effects

Substances

  • 4-azaindole
  • Anti-HIV Agents
  • BMS-378806
  • Indoles
  • Piperazines