The future of R&D moves faster.

Published Research

How the Rasayan Team Discovered Novel Dual COX-2/mPGES-1 Inhibitors Against Inflammatory Disease in 3 Weeks

0M+
Building Blocks
0+
Screening Parameters
0%
Synthetically Accessible
0x
Faster Discovery

Your Discovery Advantage

Complete hit discovery package ready for experimental validation

AI-Powered Virtual Screening

  • Comprehensive high-throughput screening across 20M accessible building blocks
  • 1.3 trillion enumerated compounds from validated synthetic routes and reaction pathways
  • Structure-based docking with pharmacophore-guided filtering

Hit Optimization

  • Identify and rank the most promising candidates for lead identification
  • Multi-parameter optimization balancing potency, selectivity, and drug-likeness
  • Scaffold hopping to explore diverse chemotypes around validated hits

DMTA Cycle & Safety Profiling

  • Iterative rescreening against off-target and toxicity protein panels
  • Comprehensive toxicity profiling including hERG, CYP450, and genotoxicity prediction
  • Metabolite and impurity structure prediction with liability flagging

The Largest Chemical Space, The Shortest Timeline.

Sample Case Study

CDK9 Kinase Inhibitor Campaign

Target ProteinCDK9 (PDB: 4BCF)
Binding Site Volume482 ų
Generated Scaffolds12.5M molecules
After PAINS Filter8.3M molecules
Docking Score Cutoff< -9.5 kcal/mol
Lead Compounds127 selected
Synthesized87 compounds
IC₅₀ < 100 nM64 compounds
IC₅₀ < 10 nM12 compounds
Best IC₅₀0.8 nM
* Biochemical assay performed at 1mM ATP concentration
73.6%
Hit Rate
0.8 nM
Best IC₅₀
>1000x
Selectivity

Ready to Accelerate Your Discovery?

Share your target. Get novel hits in 4 weeks. It's that simple.