Identification of non-furan containing A2A antagonists using database mining and molecular similarity approaches Academic Article uri icon

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  • Database searching led to the identification of potent A(2A) antagonists which do not contain the privileged furan moiety and which show selectivity over A(1) receptors. Simple substructure searching on a proprietary database identified compounds with activities in the low nM range. A targeted approach to the identification of non-furan containing compounds resulted in the identification of two novel series, with potency, selectivity and directional SAR from screening 113 compounds.


  • Richardson, Christine M
  • Gillespie, Ronald James
  • Williamson, Douglas S
  • Jordan, Allan M
  • Fink, Alexandra
  • Knight, Antony R
  • Sellwood, Daniel M
  • Misra, Anil

publication date

  • December 2006