Chemistry
Early Stage: Hit-to-Lead
The initial step in bringing a target compound to market involves identifying small molecule hits using various paradigm. These hits are then further developed and optimized to identify promising lead compounds.
Services we provide include:
- Analysis of high throughput screening (HTS) or virtual screening/assay results, including preliminary structure-activity relationship (SAR) evaluation, physical-chemical properties, identifying hit clusters, etc.
- Risk assessment, including structural liabilities and PAINS analysis
- Triage of hits generated through AI tools, and recommend targets for synthesis
- Hit confirmation: resynthesis/purification for confirming the structure and activity of hits
- Hit expansion by synthesis of selected analogs to evaluate scaffolds and explore basic SAR
- Preliminary assessment of ADME profile
- Select lead series (3-5 series) based on SAR and ADME results
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