Physicochemical characterization is an important aspect of in vitro optimization during drug discovery. Gathering knowledge about lipophilicity, solubility, and chemical stability helps to gain an understanding of DMPK parameters, such as permeability and bioavailability. In collaboration with our Digital Life Sciences unit, our measurements are the starting point for our ADMET characterization. Understanding the physicochemical properties helps us to characterize your compounds in the Rule of Five space, as well as beyond the Rule of Five.

In our physicochemical characterization unit, we offer a broad range of services for studying potential drug candidates, including determining lipophilicity, solubility, stability, crystallinity, ionization, and polar surface areas.

The lipophilicity of a molecule is important for understanding the absorption, distribution, metabolism, excretion, and toxicity (ADMET), as well as pharmacological activity. In our in-house high-throughput assay, we determine a chromatographic logD (octanol/water partition coefficient) using HPLC-based systems.

This high-throughput assay goes hand-in-hand with our solubility from a DMSO (kinetic solubility) assay, where we screen well-plate-based rapid analyses. We help to quickly overcome solubility issues, which can cause poor absorption and bad bioavailability, increasing development costs and times.

Our advanced solubility platform allows for a distinct characterization of your drug candidates. We measure thermodynamic solubility in biorelevant media (FaSSIF/FeSSIF/FaSSGF), different vehicles for po and iv application (e.g., PEG/EtOH/H2O), or buffer systems. With these data, we judge the developability of a compound for potential in vivo studies. These services can be adjusted to your needs. Special stability measurements judge potential degradation of compounds in the vehicle.

By having advanced stability studies readily available, we help to provide insights into decomposition or degradation under various conditions, such as heat, oxidative conditions, different pH levels, stability in simulated gastric juice, quick stability screens in plasma (human, rat, or mouse), and reactivity versus thiols (cysteine, glutathione). We also offer a special reactivity assessment package for covalent binders, where we determine the binding rates of glutathione and cysteine adducts.

To round out our portfolio of physicochemical characterization, we offer crystallinity studies (XRPD), ionizability (pKa), and experimental polar surface area measurements (EPSA, via SFC).

Especially in the area beyond the Rule of Five, we offer special physicochemical characterization packages (logD and logP, solubility, hydrolytic stability, EPSA) to help provide insights into the developments of PROTACs, small peptides, and macrocycles, together with our Digital Life Sciences unit.