At Icagen, we perform multiple campaigns of high- and medium-throughput screening as well as in silico virtual screening to identify chemical series as starting points for internal and partner programs.

The key steps of Hit Series Exploration efforts include:

• Hit triage of screening results performed by experienced medicinal chemists
• Compound re-synthesis and re-confirmation of biological activity
• Synthesis of close analogs to establish positive and negative SAR
• Modeling and validating the role moieties play in the multiple SAR dimensions
• Identification of main contributors to molecular properties for further optimization (potency, selectivity, solubility, ADME)

Our teams are skilled in design and synthesis of exploration sets as well as in preparation of structurally close analogs. When executed in the context of an Integrated Icagen Program (activity, off-target activity, eADME, and physical properties), this phase creates a structure-property-relationship data table which drives a rapid, data-based assessment of the optimization potential for each series explored.