Structure-Activity Relationships, Pharmacokinetics, and in Vivo Activity of CYP11B2 and CYP11B1 Inhibitors

J Med Chem. 2015 Jun 11;58(11):4749-70. doi: 10.1021/acs.jmedchem.5b00407. Epub 2015 May 21.

Abstract

CYP11B2, the aldosterone synthase, and CYP11B1, the cortisol synthase, are two highly homologous enzymes implicated in a range of cardiovascular and metabolic diseases. We have previously reported the discovery of LCI699, a dual CYP11B2 and CYP11B1 inhibitor that has provided clinical validation for the lowering of plasma aldosterone as a viable approach to modulate blood pressure in humans, as well normalization of urinary cortisol in Cushing's disease patients. We now report novel series of aldosterone synthase inhibitors with single-digit nanomolar cellular potency and excellent physicochemical properties. Structure-activity relationships and optimization of their oral bioavailability are presented. An illustration of the impact of the age of preclinical models on pharmacokinetic properties is also highlighted. Similar biochemical potency was generally observed against CYP11B2 and CYP11B1, although emerging structure-selectivity relationships were noted leading to more CYP11B1-selective analogs.

Publication types

  • Comparative Study

MeSH terms

  • Aldosterone / pharmacology
  • Animals
  • Anti-Inflammatory Agents / pharmacology
  • Corticosterone / pharmacology
  • Cytochrome P-450 CYP11B2 / antagonists & inhibitors*
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / pharmacokinetics*
  • Enzyme Inhibitors / pharmacology*
  • Imidazoles / pharmacology
  • Male
  • Microsomes, Liver / drug effects*
  • Microsomes, Liver / enzymology
  • Models, Molecular
  • Molecular Structure
  • Pyridines / pharmacology
  • Rats
  • Rats, Sprague-Dawley
  • Steroid 11-beta-Hydroxylase / antagonists & inhibitors*
  • Structure-Activity Relationship
  • Tissue Distribution

Substances

  • Anti-Inflammatory Agents
  • Enzyme Inhibitors
  • Imidazoles
  • Pyridines
  • Aldosterone
  • Osilodrostat
  • Cytochrome P-450 CYP11B2
  • Steroid 11-beta-Hydroxylase
  • Corticosterone