October 21, 2004, 1^st Annual PhysChem Symposium: Early ADME and Medicinal Chemistry

A New Approach to Assess Lead- and Drug-likeness

Herman Verheij (Pyxis Discovery)

Abstract

After a decade of High Throughput Screening, a strong awareness has grown about which compounds should actually be screened. In the past five years, it has also become apparent that a 'lead', with respect to its properties, differs significantly from a 'drug'. Following work from Xu, we have analyzed databases like the CMC and the WDI for lead- and drug-likeness, and compared those to databases of 'screening compounds' offered by compound vendors nowadays. Also, a set of lead/drug pairs was studied.

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