Azaindole N-methyl hydroxamic acids as HIV-1 integrase inhibitors-II. The impact of physicochemical properties on ADME and PK

Bioorg Med Chem Lett. 2010 Dec 15;20(24):7429-34. doi: 10.1016/j.bmcl.2010.10.022. Epub 2010 Oct 13.

Abstract

HIV-1 integrase is one of three enzymes encoded by the HIV genome and is essential for viral replication, and HIV-1 IN inhibitors have emerged as a new promising class of therapeutics. Recently, we reported the discovery of azaindole hydroxamic acids that were potent inhibitors of the HIV-1 IN enzyme. N-Methyl hydroxamic acids were stable against oxidative metabolism, however were cleared rapidly through phase 2 glucuronidation pathways. We were able to introduce polar groups at the β-position of the azaindole core thereby altering physical properties by lowering calculated log D values (c Log D) which resulted in attenuated clearance rates in human hepatocytes. Pharmacokinetic data in dog for representative compounds demonstrated moderate oral bioavailability and reasonable half-lives. These ends were accomplished without a large negative impact on enzymatic and antiviral activity, thus suggesting opportunities to alter clearance parameters in future series.

MeSH terms

  • Administration, Oral
  • Animals
  • Dogs
  • HIV Integrase / chemistry*
  • HIV Integrase / metabolism
  • HIV Integrase Inhibitors / chemistry*
  • HIV Integrase Inhibitors / pharmacokinetics
  • HIV Integrase Inhibitors / toxicity
  • HIV-1 / enzymology*
  • Half-Life
  • Hepatocytes / drug effects
  • Humans
  • Hydroxamic Acids / chemistry*
  • Hydroxamic Acids / pharmacokinetics
  • Hydroxamic Acids / toxicity
  • Indoles / chemistry*
  • Structure-Activity Relationship

Substances

  • HIV Integrase Inhibitors
  • Hydroxamic Acids
  • Indoles
  • indole
  • HIV Integrase
  • p31 integrase protein, Human immunodeficiency virus 1