Poor physicochemical properties can present several challenges including;
It is now common for physicochemical properties of new chemical entities to be profiled at an early stage of drug discovery in order to guide drug discovery teams , and identify compounds with optimal efficacy, PK and safety properties for success.
Various software packages are available that predict physicochemical properties. These are suitable for virtual screening, however, actual measurements are recommended once the compounds are synthesised to confirm the predicted measurements and provide more definitive information.
Cyprotex offer a range of different physicochemical profiling screens including turbidimetric and thermodynamic solubility, chemical stability, pKa, and lipophilicity (logP and logD). Cyprotex has partnered with Sirius Analytical to provide pKa, logP and dissolution studies using their SiriusT3 technology.