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CNS BBB Library

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ChemDiv’s library of small molecule agents capable of crossing blood-brain barrier contains 22,790 compounds.

●      Curated selection of Blood-Brain Barrier (BBB) permeable compounds, featuring high chemical diversity and structural novelty.

●      Tailored for CNS drug discovery, targeting a range of CNS and neurological-related diseases such as Parkinson’s disease, Alzheimer’s disease, schizophrenia, and drug dependence.

●      Comprises compounds capable of modulating the activity of targets like nucleic acids or proteins (including enzymes and receptors), critical in CNS pathologies.

●      As the field of CNS disease biology advances, with ongoing discovery, identification, characterization, and validation of new human drug targets, and with emerging focus areas like misfolded proteins, tau, GPCRs, kinase inhibitors, and neuroinflammation, this library stands as a vital resource in neurological and CNS drug discovery endeavors.


A distinctive collection of small molecule compounds, meticulously chosen for the CNS therapeutic area.

●      Incorporation of novel chemical structural motifs sourced from the ChemDiv inventory, ensuring a diverse and innovative range of compounds.

●      Utilization of the latest advancements in computational models for accurately predicting physicochemical properties of the molecules.

●      Application of cutting-edge Machine Learning and Artificial Intelligence algorithms specifically designed to predict BBB permeability.

●      A dedicated CNS BBB Screening Library, comprising 23,000 compounds, aimed at facilitating the discovery of new CNS targets.

Utilizing this small molecule library significantly accelerates the drug discovery process, especially in the challenging CNS therapeutic area by providing immediate access to a diversity of compounds with potential CNS activity. The integration of advanced computational and AI algorithms for predicting BBB permeability and physicochemical properties allows efficient screening and identifies promising candidates with higher chances of successful CNS penetration. Furthermore, the library's focus on novel chemical structures broadens the opportunity to uncover unique mechanisms of action, paving the way for the development of innovative treatments for complex neurological diseases.

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