Journal of Medicinal Chemistry · 2012 · 85 citations · 23 references
PharmacyMedicinal ChemistryPharmacologyDrug DiscoveryLead OptimizationMolecular PharmacologyGlutamatergic PharmacologyHit-to-lead OptimizationLead Compound DesignLipophilicity OptimizationMetabolic Stability OptimizationPotency OptimizationAllosteric Modulator BindingDrug Candidate OptimizationIn Vivo Efficacy TestingLipophilic Ligand EfficiencyMetabotropic ReceptorsOptimization Of Pharmacodynamic PropertiesPharmacology Of Glutamate ReceptorsPositive Allosteric Modulation
Advanced leads from a series of 1,2,4-triazolo[4,3-a]pyridines with mGlu2 receptor PAM activity are reported. By modification of the analogous imidazo[1,2-a]pyridine series, the newly reported leads have improved potency, in vitro ADMET, and hERG as well as good in vivo PK profile. The optimization of the series focused on improving metabolic stability while controlling lipophilicity by introducing small modifications to the scaffold substituents. Analysis of this series combined with our previously reported mGlu2 receptor PAMs showed how lipophilic ligand efficiency was improved during the course of the program. Among the best compounds, example 20 (JNJ-42153605) showed a central in vivo efficacy by inhibition of REM sleep state at a dose of 3 mg/kg po in the rat sleep-wake EEG paradigm, a phenomenon shown earlier to be mGlu2 mediated. In mice, compound 20 reversed PCP-induced hyperlocomotion with an ED₅₀ of 5.4 mg/kg sc, indicative of antipsychotic activity.
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James A. Monn, Matthew J. Valli, Steven M. Massey et al. · Journal of Medicinal Chemistry · 1997 · 393 citations