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CNS Library

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Desirable size of the custom library selection:
  • Mg
  • uMol


ChemDiv’s CNS library comprises 26,000 compounds with high blood-brain barrier permeability targeting targets located in the CNS.

This collection represents a unique assembly of chemically diverse small molecule compounds targeting proteins relevant to the CNS therapeutic area and associated neurological diseases, such as Parkinson’s disease, Alzheimer’s disease, schizophrenia, and drug dependence.

It was previously demonstrated that CNS activity and trans-cellular permeability are complex functions determined by the physical and chemical properties of molecules. Those properties include molecule size, lipophilicity, hydrogen-bonding potential, charge, and conformation. For any particular molecule, one of these factors may be more influential than the others. Generally, drugs designed to act in the brain should possess the ability to cross the BBB. Enhancing drug delivery to the brain can be achieved by increasing a molecule's lipophilicity, utilizing prodrugs that dissociate post-BBB penetration, or employing passive or active drug targeting strategies that leverage transport systems at the BBB, both in normal and pathological states. Furthermore, the transendothelial transport of compounds can be influenced by factors such as plasma binding, ionization state, time-dependent plasma concentration, and cerebral blood flow. Many of these properties can be modified through alterations in chemical structure. Therefore, optimizing the distribution of therapeutic compounds between the brain and blood is a critical aspect in the design of novel CNS-active drugs.

The importance of this small molecule library in drug discovery research, particularly for CNS and neurological disorders, cannot be overstated. Its unique compilation of compounds, specifically targeting proteins relevant to CNS conditions, provides a crucial resource for development of innovative therapeutics for challenging diseases like Parkinson's, Alzheimer's, schizophrenia, and drug dependence. The library's focus is on molecules that can effectively cross BBB and address one of the most significant hurdles in CNS drug development. By offering a range of compounds with varied physical and chemical properties, the library enables exploring and identifying molecules with optimal characteristics for brain-targeted therapies. Furthermore, the inclusion of molecules with potential for modification allows for the customization and optimization of drug candidates, enhancing their efficacy and safety profiles. This library thus represents a pivotal tool in bridging the gap between basic neuroscience research and the development of effective, targeted treatments for CNS disorders, accelerating the journey from laboratory discovery to clinical application.


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