Diversity Collections
A collection of 50,000 small molecules with enhanced potential for therapeutic development. >90% of compounds pass a rigorous set of drug-like filters including Lipinski and Veber rules, and Pipeline Pilot SMARTS liability filtering. The library is highly diverse with a diversity index of 0.73.
A set of 13,000 chemically diverse compounds
Targeted Collections
20,000 diverse molecules computationally selected for kinase screening using in silico virtual docking (14,000 compounds) and ligand-based pharmacophore (6,000 compounds) approaches.
Protein-protein Interaction Library
20,000 diverse molecules computationally selected from ChemDiv’s master PPI library. The custom set has 7 subsets including Natural product based, 3D mimetics, Macrocycles, Helix-turn mimetics, Tripeptidomimetics, 3D diversity natural-product like, and Beyond flatland.
Bioactives Collections
A collection of 1280 structurally diverse, bioactive, and cell permeable compounds from MedChemExpress that have been approved by the FDA or EMA.
A collection of 1600 structurally diverse, medicinally active, and cell permeable compounds from MedChemExpress that are or have been at some clinical stage.
Custom bioactive library
A custom collection of 3200 structurally diverse, medicinally active, and cell permeable compounds from TargetMol that were selected to expand and compliment NU-HTA’s existing FDA approved and clinical collections.