ACD/Blood Brain Barrier Permeation
Predict the extent of BBB permeability, brain/plasma permeation rate, and the rate of passive diffusion from structure
The blood-brain barrier (BBB) permeation module in ACD/Percepta provides a comprehensive evaluation of the permeation potential of candidate compounds. While prediction cannot replace experimentation, this module allows compounds to be ranked according to their passive transport across the BBB.
Based on the last two parameters, a qualitative estimate is provided as to whether brain uptake is sufficient for CNS activity
- Rate of passive diffusion/permeability (logPS)
- Extent of BBB permeation (logBB)—steady-state distribution ratio of a compound between brain tissue and plasma
- Brain/plasma equilibration rate (PS * fu, brain)
- Receive alerts for compounds likely to undergo transport across the BBB barrier by carrier mediated mechanisms
- Improve prediction accuracy by including experimental values for logP, pKa, and fraction unbound in plasma
- Review experimental logPS or logBB values, and literature references for up to 3 similar structures from the training dataset
- View your compound on a plot of logBB vs. (PS * fu, brain), in comparison to a number of CNS and peripheral drugs
- Simplify compound screening with automated predictions for hundreds of molecules in batch mode
About the Models
Calculated Quantitative Parameters
Transport Mechanism Alerts
Read about the prediction accuracy of the model
ACD/Labs Product Suites
The Percepta prediction modules are available as bundles to offer cost savings for multiple modules, and provide related modules as a package.
Contact us for more information on the product suite that is right for you.