Solid Form Selection
A compound or material with promising, or even proven, biological activity will eventually need to fulfill several other basic criteria as well. These could be grouped in areas like for instance physical or chemical stability, processability, bioavailability etc, and are crucial in order to facilitate a successful development all the way to a product on the market. The origin behind these “behaviors” are the solid state properties of the compound or material, i.e. features like crystallinity, crystal packing (polymorph) and selected form (salt or free acid/base).
Initially, the compound of interest may exist only in the amorphous state. It is then important to note that the solubility can vary with orders of magnitude between the compound in the amorphous phase and in the crystalline phase, hence completely biasing the bioavailability! If the crystallization proves difficult it is recommended to make use of our Crystallization Support.
If the properties of the isolated free form are inadequate, a possible solution is to search for an alternative form of the compound. A Salt Screening may provide a material with significantly improved properties when it comes to features like solubility or processability.
However it is not enough to search for just one crystalline form of a salt, cocrystal or of the free form. Once these have been identified it is crucial to explore the “solid state space” and explore the Polymorphism for the given form, eventually providing the optimal form for progression.
Based on what is mentioned above it is advisable to evaluate inherent properties not only during development for launch but also already during early explorative phase and preferably, even during discovery phase where opportunities may be found to slightly modify a candidate molecule and thereby significantly improve the quality/value of the drug. By carefully applied In-Silico Support it may be possible to obtain not only the desired properties of your compound but also to constitute a strong IP possibility/position due to innovative molecular design.