Medicinal Chemistry

Edelris offers a very flexible allocation of highly trained medicinal chemists (60% Ph. D’s) who have access to state-of-the-art equipment and computational chemistry support. In addition, all projects have access to our production platform for parallel- and flow-synthesis/purification and photo-chemistry to speed-up your small molecule drug discovery.

Hit-to-lead projects require accelerated preparation of series of analogs around hit structures to validate their potential for the development of lead compounds. Edelris has a strong track record in optimizing hits identified from various screening technologies including fragment screening and HTS.

Edelris has a strong experience and established infrastructure for high throughput library synthesis allowing rapid hit exploration in a timely manner. Typically within 3-9 months, structure-activity relationships (SAR) and early assessment of in-vitro ADMET properties allows for the selection of a suitable lead candidate to further explore the target pharmacology.

Lead optimization relies on the fine-tuning of multiple parameters to reach the desired pharmacological profile of a drug candidate (efficacy, safety). This is achieved through the design and synthesis of focused libraries as well as specific compounds to generate detailed structure-activity and structure-property relationships. Edelris benefits from a strong network of partners to provide integrated services towards the selection of a preclinical candidate.

Edelris routinely uses computational methods to significantly accelerate the early phase of your projects. When used in combination with our multi-million compounds proprietary Keymical Space™ our clients have the unique opportunity to identify new chemical matter for their programs.

Structure- and ligand-based Virtual Screening allow us to prioritize compounds, identify new hits, or tackle typical problems encountered in medicinal chemistry programs such as selectivity issues or IP protection.

- VONAFEXOR
  Together with our partners Inserm and Poxel, we developed and discovered a new synthetic FXR agonist, Vonafexor, inhibiting viral HBV DNA and viral antigen production. Vonafexor is currently in clinical phase II trials as a new treatment against hepatitis B virus (HBV) infection.

- BAY-850
  Bayer Pharmaceuticals partnered with Edelris to bring our expertise into action on a small molecule epigenetic regulator ATAD2. From an initial weak ligand, we developed a potent (IC50=22nM), selective, soluble, and permeable biological tool compound – BAY-850.

- 2,7-DIAZASPIRO[4,4]NONANE
  With partners from the Center for Cellular Biology Research (Uni. of Montpellier), the CNRS Laboratory of Applied Biology and Pharmacology in Cachan (both France) and Pharmatest in Turku (Finland) we developed the synthesis of and identified a novel diazaspiro[4,4]nonane compound (E197) with osteoclast inhibitor activity.