Some of the greatest difficulties in CNS drug discovery are compounds with inadequate physicochemical profiles to permeate the blood brain barrier (BBB), and accumulate at concentrations high enough for therapeutic effect.
With the BBB permeation and P-gp Specificity modules available in ACD/ADME Suite you can get a better understanding of the behaviour of your compounds, to design around efflux transporters and synthesize BBB permeable compounds.
While the software predicts passive permeability, it also provides alerts where transport mechanisms may be involved that might either help or hinder your progress.
Understanding the likely in-vivo behavior of your compounds, and being able to profile analogs, can help you design-in chemical features and groups that will increase your success at achieving BBB penetrable drugs.
To learn more about how these products can aid your research efforts contact us.