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ID: ALA1136903
Journal: Bioorg Med Chem Lett
Title: Spiroimidazolidinone NPC1L1 inhibitors. 1: Discovery by 3D-similarity-based virtual screening.
Authors: McMasters DR, Garcia-Calvo M, Maiorov V, McCann ME, Meurer RD, Bull HG, Lisnock J, Howell KL, Devita RJ.
Abstract: A series of spiroimidazolidinone NPC1L1 inhibitors was discovered by virtual screening of the Merck corporate sample repository using 3D-similarity-based screening. Selection of 330 compounds for testing in an in vitro NPC1L1 binding assay yielded six hits in six distinct chemical series. Follow-up 2D similarity searching yielded several sub- to low-micromolar leads; among these was spiroimidazolidinone 10, with an IC(50) of 2.5 microM. Compound 10 provided a useful scaffold to initiate a medicinal chemistry campaign.
CiteXplore: 19410454