Structure-activity relationships, and drug metabolism and pharmacokinetic properties for indazole piperazine and indazole piperidine inhibitors of ROCK-II

Bioorg Med Chem Lett. 2007 Apr 15;17(8):2355-60. doi: 10.1016/j.bmcl.2006.12.043. Epub 2006 Dec 21.

Abstract

ROCK has been implicated in many diseases ranging from glaucoma to spinal cord injury and is therefore an important target for therapeutic intervention. In this study, we have designed a series of 1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-hydroxy(or 2-amino) analogs and a series of 1-(4-(1H-indazol-5-yl amino)piperidin-1-yl)-2-hydroxy(or 2-amino) inhibitors of ROCK-II. SR-1459 has IC(50)=13nM versus ROCK-II while the IC(50)s for SR-715 and SR-899 are 80nM and 100nM, respectively. Many of these inhibitors, especially the 2-amino substituted analogs for both series, are modest/potent CYP3A4 inhibitors as well. However, a few of these inhibitors (SR-715 and SR-899) show strong selectivity for ROCK-II over CYP3A4, but the overall potency of the 2-amino analogs (SR-1459) on CYP3A4 and the high clearance and volume of distribution of these compounds makes the in vivo utility of these analogs undesirable.

MeSH terms

  • Animals
  • Cytochrome P-450 CYP3A
  • Cytochrome P-450 Enzyme Inhibitors
  • Drug Stability
  • Humans
  • Indazoles / chemistry
  • Indazoles / metabolism*
  • Indazoles / pharmacokinetics*
  • Inhibitory Concentration 50
  • Intracellular Signaling Peptides and Proteins / antagonists & inhibitors*
  • Pharmaceutical Preparations / metabolism
  • Pharmacokinetics
  • Piperazines / chemistry
  • Piperazines / metabolism
  • Piperazines / pharmacokinetics
  • Piperidines / chemistry
  • Piperidines / metabolism
  • Piperidines / pharmacokinetics
  • Protein Kinase Inhibitors / metabolism
  • Protein Kinase Inhibitors / pharmacokinetics*
  • Protein Serine-Threonine Kinases / antagonists & inhibitors*
  • Rats
  • Structure-Activity Relationship
  • rho-Associated Kinases

Substances

  • Cytochrome P-450 Enzyme Inhibitors
  • Indazoles
  • Intracellular Signaling Peptides and Proteins
  • Pharmaceutical Preparations
  • Piperazines
  • Piperidines
  • Protein Kinase Inhibitors
  • Cytochrome P-450 CYP3A
  • CYP3A4 protein, human
  • Protein Serine-Threonine Kinases
  • rho-Associated Kinases