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Discovery of Novel Central Nervous System Penetrant Metabotropic Glutamate Receptor Subtype 2 (mGlu2) Negative Allosteric Modulators (NAMs) Based on Functionalized Pyrazolo[1,5- a]pyrimidine-5-carboxamide and Thieno[3,2- b]pyridine-5-carboxamide Cores.

Elizabeth S ChildressJoshua M WietingAndrew S FeltsMegan M BreinerMadeline F LongVincent B LuscombeAlice L RodriguezHyekyung P ChoAnna L BlobaumColleen M NiswenderKyle A EmmitteP Jeffrey ConnDennis C Liotta
Published in: Journal of medicinal chemistry (2018)
A scaffold hopping exercise from a monocyclic mGlu2 NAM with poor rodent PK led to two novel heterobicyclic series of mGlu2 NAMs based on either a functionalized pyrazolo[1,5- a]pyrimidine-5-carboxamide core or a thieno[3,2- b]pyridine-5-carboxamide core. These novel analogues possess enhanced rodent PK, while also maintaining good mGlu2 NAM potency, selectivity (versus mGlu3 and the remaining six mGlu receptors), and high CNS penetration. Interestingly, SAR was divergent between the new 5,6-heterobicyclic systems.
Keyphrases
  • small molecule
  • blood brain barrier
  • physical activity
  • high throughput
  • molecular docking
  • body composition
  • single cell