ADMET Screening / Issue Resolution

Kinentia’s DDM ADMET predictor algorithms are very powerful and correlate well with observed literature values. Our In Silico screens include:

• HERG Inhibition
• CYP3A4, 2D6 AND 2C9 Inhibition (other CYPs under development)
• Aqueous Solubility
• Plasma Protein Binding
• Blood-Brain Barrier Penetration
• Skin Permeability

Any of the above screens can also be independently applied to either pre-screen structures for potential ADMET issues or to ongoing projects to deliver solutions to existing ADMET problems.

The power and accuracy of our ADMET predictive services can be readily seen below. Plots of the experimentally observed verses DDM predicted properties of a structurally diverse range of known compounds are shown. Strong correlation is observed between the two sets of values.