Abstract 1350: New NCI experimental therapeutics program (NExT) small molecule libraries for academic investigator hts projects

Abstract The NCI Experimental Therapeutics Program (NExT) is making available two new smaller (3.5K) screening libraries suitable for academic investigator HTS drug discovery programs. The NExT program is a partnership between NCI's Division of Cancer Treatment and Diagnosis (DCTD) and the Center for Cancer Research (CCR). NExT consolidates NCI's anticancer drug discovery and development resources with the goal of maintaining a robust and balanced therapeutics pipeline. It encompasses tasks from new target validation through Phase III clinical trial evaluation. The Program is designed to streamline development and testing of promising new anticancer drugs and to expedite their delivery to the bedside. As part of the Program to support HTS drug discovery, NCI has previously offered academic oncology investigators access to our full 83K NExT Diversity Library in single-use, 384-well plate format. The set was designed to identify lead small molecules for drug discovery programs. We are now making available 2 smaller pre-plated subsets of this library, the NExT Diversity 3500 and NExT Diversity 3500 SAR, for when screening the full set is not appropriate. Each library contains 3,500 compounds: NExT Diversity 3500 is a diverse sampling across the entire 83K library while the NExT Diversity 3500 SAR is designed to facilitate rapid SAR follow-up by sampling only those compounds that have at least 5 close neighbors in the 83K library. The new libraries were designed by initially filtering the full NExT Diversity Library for undesirable compounds such as PAINS. Both atom-pair based 2D pharmacophore fingerprints and ECFP6 topological fingerprints from ChemAxon were then employed to generate the two non-overlapping subset libraries. The NExT screening libraries are provided as a resource to academic oncology investigators through the NExT Program (see NExT Resources: http://next.cancer.gov/). The design details and physiochemical characteristics of the two new sets, NExT Diversity 3500 and NExT 3500 SAR, and procedures and criteria for accessing this resource are presented along with several other screening sets available through the Developmental Therapeutics Program (DTP). Citation Format: Raj N. Misra, Michael Eckert, Christian Laggner. New NCI experimental therapeutics program (NExT) small molecule libraries for academic investigator hts projects. [abstract]. In: Proceedings of the 107th Annual Meeting of the American Association for Cancer Research; 2016 Apr 16-20; New Orleans, LA. Philadelphia (PA): AACR; Cancer Res 2016;76(14 Suppl):Abstract nr 1350.