Fundamental physico-chemical features required for optimal brain exposure of successful CNS drugs have been extensively studied in an attempt to define the attributes related to their ability to penetrate the blood-brain barrier (BBB) and exhibit CNS activity. On the other hand, BBB penetration may be a liability for many of the non-CNS drug targets, and a clear understanding of the physicochemical and structural differences between CNS and non-CNS drugs may assist both research areas.
Reaxense has designed its CNS Compound Library (6,492 molecules) applying both the hard cutoffs crucial for CNS-related drugs as well as prospective alignment of drug-like attributes such as high permeability, low P-gp efflux liability, low metabolic clearance, and high safety for each molecule.
- 6,492 drug-like molecules with predicted BBB permeability
- Each compound has high CNS Multiparameter Optimization score
- No pan-assay interference (PAINS) compounds
- Compounds with reactive and toxic groups filtered out
- High diversity over the library
- Purity >90%; spectral data available
Product Sheet (PDF)
Product sheet with detailed description is available in PDF format
This library is available in structure-data file format (SDF) or other common formats such as XLS, CSV, PDF. Please contact us to obtain this library as well as information on price and delivery.