AMRI possesses the diverse scientific expertise and advanced technology to establish compound libraries, conduct hit-to-lead screening and pursue a medicinal chemistry approach within a single organization.
AMRI’s Synthetic Compound Collection (ASCC) is a large, diverse selection of small molecule organic compounds that are pre-plated in 384-well format. Our expert medicinal and computational chemists developed, tested and refined compound selection and elimination criteria to retain only viable chemical starting points for lead discovery. ASCC provides an opportunity to identify high-quality hits through high-throughput screening (HTS) suitable for medicinal chemistry exploration.
The collection holds 105,000 compounds divided into sub-libraries of fragment-like, lead-like and drug-like molecules. The diversity of scaffolds results in novel chemical starting points, and the entire collection and individual sub-libraries are available to accommodate your program needs. We have already analyzed the library based on scaffolds and cluster analysis, resulting in removal of potential false-negatives and false-positives and rapid development of structure activity relationships.
Key elements of ASCC include:
- 4,748 fragment-like compounds prepared with a larger quantity of material per well to support low-volume, high-concentration test formats
- 54,337 lead-like compounds. M.W. 250–400; LogP 0–5; rings ≤ 4
- 46,237 drug-like compounds. M.W. 400–500; LogP 4–~ 5.5; rings ≤ 5
- Resupply of compounds from dry powder inventory, commercial sources or resynthesis by AMRI chemists
We accomplish hit triage quickly by purchasing related analogs and using other computational methods to perform virtual screening to identify additional compounds for testing.