Discovery of 5-HT6 receptor ligands based on virtual HTS

Bioorg Med Chem Lett. 2007 Nov 15;17(22):6224-9. doi: 10.1016/j.bmcl.2007.09.016. Epub 2007 Sep 8.

Abstract

Based on a pharmacophore alignment on a 5-HT(6) ligand applying 4SCan technology, a new lead series was identified and further structurally investigated. K(i)s down to 8 nM were achieved.

MeSH terms

  • Aniline Compounds / chemistry*
  • Aniline Compounds / pharmacology
  • Computer Simulation*
  • Drug Design
  • Humans
  • Indoles / chemistry
  • Indoles / pharmacology
  • Ligands
  • Models, Molecular
  • Molecular Structure
  • Piperazine
  • Piperazines / chemistry*
  • Piperazines / pharmacology
  • Receptors, Serotonin / chemistry*
  • Receptors, Serotonin / drug effects
  • Receptors, Serotonin / metabolism
  • Software
  • Structure-Activity Relationship
  • Sulfonamides / chemistry*
  • Sulfonamides / pharmacology

Substances

  • Aniline Compounds
  • Indoles
  • Ligands
  • N-(3-(2-dimethylaminoethyl)-1H-indol-5-yl)-5-chloronaphthalene-2-sulfonamide
  • Piperazines
  • Receptors, Serotonin
  • Sulfonamides
  • serotonin 6 receptor
  • Piperazine
  • aniline