HTS is the mainstay in current preclinical drug discovery efforts. The quality of hits and hence leads is directly related to the diversity and quality of the screening decks’ content. The European Lead Factory (ELF) is a public private partnership aiming to create a 500K screening library and to perform multiple HTS campaigns on this library. In an unprecedented joint-force approach, seven members of the European Federation of Pharmaceutical Industries and Associations (EFPIA) and a Public Chemistry Consortium collaborate to build a high quality Joint European Compound Library (JECL) to boost drug discovery within Europe (https://www.europeanleadfactory.eu/#). The construction principle for innovative scaffolds and derived compound libraries besides molecular properties and structural features include novelty, diversity potential, synthetic tractability and innovative library design. The University of Groningen Domling group is part of ELF and has contributed multiple innovative scaffold design over the last 4 years and many compounds of JECL are derived from these designs. We will illustrate the scaffold designs which includes multiple small molecule structures up to artificial macrocycles with high 3D character while not jeopardizing PKPD properties. Synthesis, scope and limitations, physicochemical properties, 3D structures and potential applications will be highlighted.

Expanding screening decks by innovative MCR scaffolds

253rd National Meeting (2017)

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