ABSTRACT
CREATING A COMPOUND INVENTORY Compound management is a critical hub in all drug discovery programs providing one of the essential ingredients in hit identification and lead optimization (Fig. 1). Most compound inventories have been constructed with small molecules from a range of sources. Historical medicinal chemistry programs have provided the backbone of the inventory, and in the last 20 years, these have been complemented by combinatorial libraries using in-house resources or through acquisition from alliance partnerships, academics, and commercial vendors. Another viable source of compounds is for two companies to exchange or trade compounds within their individual collections. The main objective of supplementing internal medicinal chemistry compounds is to diversify the internal compound collection. However, the selection of compounds needs to be carefully considered because these need to be relevant to the biological targets that are to be screened. Additionally, the compounds need to contain chemical and physical characteristics that will yield a high probability of enabling future medicinal chemistry programs.
