CNS MPO score

Central Nervous System (CNS) drugs are special in the sense that they have to penetrate the Blood-Brain Barrier (BBB) in order to have any effect on their target. It is also known that they exhibit physico-chemical properties from certain ranges, forming a smaller subset in the large property space of orally available drugs. Wager and his co-researchers at Pfizer built a CNS Multiparameter Optimization (MPO) algorithm for generating a score that used 6 common physico-chemical properties (molecular weight (MW), logP, logD at pH 7.4, topological polar surface area (TPSA), the number of H-bond donors (HBD) and the pKa of the most basic center of the molecule) to build a relationship between this smaller CNS property space and CNS drug-likeness. The research revealed that CNS drugs already on the market and potential candidates show high MPO score values (so called desirability score values ≥ 4.0 on a scale between 0 and 6), making this a useful tool at the design stage to accelerate the identification of compounds with increased probability of success. Since the publication of the research the CNS MPO Score has become a generally accepted algorithm in the CNS-oriented medicinal chemistry community. Chemaxon's CNS MPO Score Predictor is able to calculate the CNS MPO score using the algorithm published by Wager et al.


Structure column
The structure column.

Input Ports

Input table that contains structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Output Ports

Output table that contains CNS MPO score.

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