Dataset

Central Nervous System (CNS) Compound Library from OTAVA

Added By otavateam

There are many different drug targets expressed in brain tissue. The delivery of drugs to central nervous system (CNS) is complicated by blood brain barrier (BBB) which controls entry of drugs into CNS. BBB is one of the most important factors limiting the development of drugs that specifically target brain disorders. Nowadays BBB remains a bottleneck in brain drug discovery. From the time of high-throughput screening introduction many approaches for finding of compounds with good BBB permeability based on their physicochemical properties were proposed. The state of the art data were used to prepare OTAVA’s CNS compound library.
OTAVA Ltd. offers CNS compound library which currently contains about 2 000 compounds. All the selected compounds possess physicochemical properties preferable for BBB penetration and they are simultaneously suitable for oral administration. Molecular weight of compounds selected ranges from 160 to 450, sum of oxygen and nitrogen atoms ≤ 5, number of rotatable bonds ≤ 8, CLogP > 0 and CLogD between 1 and 3. Parameter filters of CLogD and number of rotatable bonds restriction have the main influence on oral bioavailability. Biologically unstable compounds and compounds containing carboxyl groups, reactive groups or unwanted atoms were removed from this library.
CNS Targeted Library from OTAVA is designed as a special screening library containing compounds with high probability to penetrate blood brain barrier thus additional CNS permeability optimization for found inhibitors generally is not required. More information about this library you can find on our website.

http://www.otavachemicals.com/
Format: .yaml