3DiscoveryTM VIRTUAL LIBRARY

Reach new chemical space by screening LCC’s novel and high quality Ro4 lead-like library, which was designed thanks to our 3D-rich proprietary scaffolds.

Synthetic & Computational Expertise

 

ENUMERATION VIA ROBUST CHEMICAL TRANSFORMATIONS

 

 

THE CUSTOMER WORKFLOW

Virtual Library, Lead-like Chemical Space - LCC


KEY DESIGN PARAMETERS

 

  • Quality
 ~Ro4 lead-like chemical space
>70% synthesis success rate
  • Diversity
 Wide spread of sp2/sp3
character & MW
Diversity-controlled reagent selection
  • Novelty
Proprietary scaffold collection
SureChemBL novelty assessment

PROPERTY OVERVIEW

  • Library Size
 >2.8 Million lead-like molecules
  • Molecular Weight
 332 (130 to 420)
  • Topological Polar Surface Area
51 (0 to 140)
  • Quantitative Estimate of Drug-Likeness
0.56 (0.06 to 0.95)
  • Fsp3
0.43 (0.0 to 1.0)

PROPERTY ANALYSIS OF LCC’S 3DiscoveryTM VIRTUAL LIBRARY

KINASE FOCUSSED VIRTUAL LIBRARY

  • Curated set of LCC synthons and commercial building blocks, enumerated with known hinge binding and allosteric motifs.
  • Motifs selected based on appropriate synthetic handles suitable for transformations carried out in LCC's PSL.
  • Two libraries available:
    • Hit identification (>25,000 molecules)
    • Follow up and hit optimisation (>37,000 molecules)
   

Want to explore 3DiscoveryTM

LCC’s novel, diverse, Ro4 drug-like virtual library is ready for virtual screening, allowing you to push the chemical space limits. If you want to know more about 3DiscoveryTM, please get in touch. If you want to understand the value of partnering with us for Virtual Screening Projects, please visit our Parallel Synthesis webpage.

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