Novel and selective 5-HT2C/2B receptor antagonists as potential anxiolytic agents: synthesis, quantitative structure-activity relationships, and molecular modeling of substituted 1-(3-pyridylcarbamoyl)indolines

J Med Chem. 1998 May 7;41(10):1598-612. doi: 10.1021/jm970741j.

Abstract

The synthesis, biological activity, and molecular modeling of a novel series of substituted 1-(3-pyridylcarbamoyl)indolines are reported. These compounds are isosteres of the previously published indole urea 1 (SB-206553) and illustrate the use of aromatic disubstitution as a replacement for fused five-membered rings in the context of 5-HT2C/2B receptor antagonists. By targeting a region of space previously identified as sterically allowed at the 5-HT2C receptor but disallowed at the 5-HT2A receptor, we have identified a number of compounds which are the most potent and selective 5-HT2C/2B receptor antagonists yet reported. 46 (SB-221284) was selected on the basis of its overall biological profile for further evaluation as a novel, potential nonsedating anxiolytic agent. A CoMFA analysis of these compounds produced a model with good predictive value and in addition good qualitative agreement with both our 5-HT2C receptor model and our proposed binding mode for this class of ligands within that model.

MeSH terms

  • Animals
  • Anti-Anxiety Agents* / chemical synthesis
  • Anti-Anxiety Agents* / chemistry
  • Anti-Anxiety Agents* / metabolism
  • Anti-Anxiety Agents* / pharmacology
  • Conditioning, Operant / drug effects
  • Conflict, Psychological
  • Indoles* / chemical synthesis
  • Indoles* / chemistry
  • Indoles* / metabolism
  • Indoles* / pharmacology
  • Male
  • Models, Molecular*
  • Motor Activity / drug effects
  • Pyridines* / chemical synthesis
  • Pyridines* / chemistry
  • Pyridines* / metabolism
  • Pyridines* / pharmacology
  • Rats
  • Rats, Sprague-Dawley
  • Receptor, Serotonin, 5-HT2B
  • Receptor, Serotonin, 5-HT2C
  • Receptors, Serotonin / drug effects*
  • Receptors, Serotonin / metabolism
  • Serotonin Antagonists* / chemical synthesis
  • Serotonin Antagonists* / chemistry
  • Serotonin Antagonists* / metabolism
  • Serotonin Antagonists* / pharmacology
  • Social Behavior
  • Structure-Activity Relationship

Substances

  • Anti-Anxiety Agents
  • Indoles
  • Pyridines
  • Receptor, Serotonin, 5-HT2B
  • Receptor, Serotonin, 5-HT2C
  • Receptors, Serotonin
  • SB 221284
  • Serotonin Antagonists