Further Insights in 5-phenyl-2-[2-(1-piperidinylcarbonyl) Phenyl]-2,3- dihydro-1H-pyrrolo[1,2-c]imidazol-1-ones, a Recently Disclosed Class of Neuropeptide S Antagonists
Gian Paolo Vallerini,
Elisa Della Turca,
Romano Di Fabio,
Anna Maria Capelli.
In this paper, a recently reported series of NPS antagonists is further expanded and biologically evaluated. The
ligand efficiency and ADMET score concepts were then applied to the newly disclosed 5-phenyl-2-[2-(1-piperidinylcarbonyl)
phenyl]-2,3-dihydro-1H-pyrrolo[1,2-c]imidazol-1-ones, to limit the SAR exploration. Important pharmacophoric
features were identified suggesting potential way forward for the identification of further developable templates.
Keywords: ADMET score, Ligand efficiency, NPS antagonists, Pharmacophore features
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