Our compound libraries fall into two main categories:
1. Approved drugs and compounds of known bioactive and clinical properties. There has been a recent flurry of activity in the “repurposing” of known drugs, which allows for rapid translation from screening hits to the clinic. These compound sets are also excellent tools for revealing valuable pharmacological insight into new targets.
- NIH Clinical collections 1 and 2: 450 and 281 compounds, respectively. These compounds have well-documented clinical histories and known safety profiles. Includes some approved drugs.
- Spectrum Collection: 2320 compounds. Includes approved drugs (50%), diverse natural products (30%), and other bioactive compounds (20%).
- NCI-DTP Approved Oncology: 89 approved compounds. Primarily chemotherapeutic agents and some target-based (kinase) inhibitors.
2. Diversity sets
- Custom designed drug-like diversity set: 20,000 compounds, Life Chemicals. This collection has high structural diversity while satisfying many published criteria for drug- and lead-likeness. The set has been selected from Life Chemical’s collection of over 750,000 compounds, with the application of chemical filters that exclude known toxicophores, likely assay interferers, undesirable functional groups, frequent-hitters, Michael acceptors, and other filters. This library is intended for discovering drug-like hits that can be rapidly translated into novel intellectual property. Multiple representatives of each chemical scaffold can yield SAR (structure-activity relationship) that can guide downstream medicinal chemistry efforts.
- NCI-DTP Diversity Set II: 1364 compounds. This set was selected by the NCI-DTP for structural and chemical diversity from their collection of 140,000 compounds. Many of these compounds would not pass the rigorous filters used in current compound library design, but they offer a tremendous diversity in chemical space.