Optimization of thienopyrrole-based finger-loop inhibitors of the hepatitis C virus NS5B polymerase

ChemMedChem. 2009 Oct;4(10):1695-713. doi: 10.1002/cmdc.200900184.

Abstract

Infections caused by the hepatitis C virus (HCV) are a significant world health problem for which novel therapies are in urgent demand. The NS5B polymerase of HCV is responsible for the replication of viral RNA and has been a prime target in the search for novel treatment options. We had discovered allosteric finger-loop inhibitors based on a thieno[3,2-b]pyrrole scaffold as an alternative to the related indole inhibitors. Optimization of the thienopyrrole series led to several N-acetamides with submicromolar potency in the cell-based replicon assay, but they lacked oral bioavailability in rats. By linking the N4-position to the ortho-position of the C5-aryl group, we were able to identify the tetracyclic thienopyrrole 40, which displayed a favorable pharmacokinetic profile in rats and dogs and is equipotent with recently disclosed finger-loop inhibitors based on an indole scaffold.

MeSH terms

  • Allosteric Regulation / drug effects
  • Animals
  • Antiviral Agents / chemistry
  • Antiviral Agents / pharmacokinetics
  • Antiviral Agents / pharmacology*
  • Azocines / chemistry
  • Azocines / pharmacology*
  • Dogs
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / pharmacokinetics
  • Enzyme Inhibitors / pharmacology*
  • Hepacivirus / drug effects*
  • Hepacivirus / enzymology
  • Humans
  • Protein Conformation
  • Pyrroles / chemistry
  • Pyrroles / pharmacokinetics
  • Pyrroles / pharmacology*
  • Rats
  • Viral Nonstructural Proteins / antagonists & inhibitors*
  • Viral Nonstructural Proteins / chemistry
  • Viral Nonstructural Proteins / genetics

Substances

  • 13-cyclohexyl-6-(-1-isopropylpyrrolidin-3-yl)-5,6,7,8-tetrahydrothieno(2,3-4,5)pyrrolo(2,1-a)(2,5)benzodiazocine-11-carboxylic acid
  • Antiviral Agents
  • Azocines
  • Enzyme Inhibitors
  • Pyrroles
  • Viral Nonstructural Proteins
  • thienopyrrole
  • NS-5 protein, hepatitis C virus