Chemspace General Fragments Description Fragment-based approach - - PowerPoint PPT Presentation

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Chemspace General Fragments Description Fragment-based approach - - PowerPoint PPT Presentation

Chemspace General Fragments Description Fragment-based approach has emerged as a powerful tool in modern drug discovery. Most of the hits from conventional screening would hardly fit the Lipinski rules, not to say the Ro4. Thus, stricter rules


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Chemspace General Fragments

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Description

Fragment-based approach has emerged as a powerful tool in modern drug

  • discovery. Most of the hits from conventional screening would hardly fit the

Lipinski rules, not to say the Ro4. Thus, stricter rules have been proposed – first of all, to increase the potential quality of the obtained hit. At the same time, small library could cover relatively high area of chemical space since the final drug could be a combination of several fragments. Fragments are widely used in various, sometimes very specific, research

  • projects. Discover Chemspace fragments subsets that can be applicable in

NMR-assisted and RSA-assisted screening.

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Selection

Library size: 86 837 in-stock compounds 1 244 258 make-on-demand compounds

You can order full set or selected subset based on your criteria; all compounds are supplied as powders, solutions, or dry films. Please contact us at sales@chem-space.com for more information.

Chemspace General Fragments library consists of compounds that

  • Comply with Ro3
  • No PAINS, “toxic” and reactive moieties*

*Please see also our Covalent Fragments set that go beyond this library.

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PhysChem properties

20 40 60 80 100 9 12 15 18 21 24 % of compounds

Heavy Atoms

20 40 60 80 100 20 40 60 80 100 % of compounds

TPSA

10 20 30 40 50 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 % of compounds

Fsp3

20 40 60 80 100 1 2 3 4 % of compounds

Rings

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Chemspace Compound sets

  • Fluorine and Heavy Fragments
  • Selected Fragments
  • Singleton Fragments
  • Saturated and Spiro Fragments
  • General Fragments
  • 3D-Shaped Fragments
  • Acid and Amine Fragments
  • Covalent Fragments

Discover our Fragment Libraries:

All libraries’ names are clickable links. Visit www.chem-space.com/flyers to find more Chemspace presentations!

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  • High QED compounds
  • Phenotypic Screening set
  • PPI Modulators
  • Pre-Plated compounds
  • RNA-Targeted library
  • Virtual Screening set

Discover our Screening compounds: Chemspace Compound sets

  • ChEMBL analogs
  • CNS-Focused library
  • Covalent Modifiers
  • Drug Impurities
  • Drug Repurposing
  • Framework-Derived set

All libraries’ names are clickable links. Visit www.chem-space.com/flyers to find more Chemspace presentations!

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Thank You!

The Chemspace Team