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Fragment Library Design and Screening 3

Abstract

Fragment-based drug discovery (FBDD) is now a successful approach to hit finding in modern drug discovery. With the approval of Vemurafenib in 2011 and many fragment-derived compounds currently in the clinic, FBDD has continued to gain momentum.

Sygnature Discovery has designed and synthesised a diverse fragment library. The library was designed to be readily amenable to medicinal chemists, with each fragment containing at least one point of diversity for elaboration. To aid identification of true hits and suggest early SAR the library contains a small number of analogues for each fragment.

The library was assembled predominantly through in-house synthesis and >60%of the fragments are not commercially available at the time of publication. The library does not contain any PAINS or reactives. All fragments have been purity checked (>95%purity) using NMR and LCMS.

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