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