Medicinal Chemistry

Drug Discovery

null  Design & Synthesis

  • For a given target/drug structure, design a new chemical entity with independent intellectual property rights based on a full understanding of intellectual property rights in the relevant field, combine the principles of medicinal chemistry, computer-aided drug design, etc., and review the literature to design a synthetic route, and finally synthesize the target molecule. 



null  SAR

  • Investigate the relationship between structure and activity by testing the biological activity of new chemical entities with different structures, and guide the next round of structure design. 

null  Lead

  • Molecules with excellent biological activity and good initial safety profile (hERG, Mini-Ames) are proposed as lead compounds. 




null  Druggability

  • Further structural optimization of lead compounds and systematic druggability studies, including: biological activity, pharmacokinetic properties, safety pharmacology, physical and chemical properties, etc. 


null  PCC

  • Based on the results of systematic druggability studies, the best molecules were selected as preclinical candidates, while 1-2 structurally differentiated molecules were selected as alternative. 

 Custom Synthesis

  • Customization of New Chemical Entities (NCE) 
  • Preparation of special reagents, intermediates and molecular fragments
  • Synthetic design and preparation of impurities or metabolites 
  • Synthesis of deuterated compounds