CNS-friendly molecules capable of BBB penetration
1 280 pre-plated fragments
Despite extensive research efforts, CNS drug discovery remains among the most challenging fields for drug developers. Factors such as heightened pollution, an aging population, and the impact of the global pandemic have collectively contributed to the increase of various CNS disorders. Regardless of great progress in diagnostics which is still limited in access, this field remains in desperate need of new effective, and safe treatments for most serious and frightening disorders.
To help scientists at very early stages, we designed a specialized library of small fragments intended to bring convenient starting points that can quickly progress to potent CNS lead series. Analyzing all existing CNS drugs and drug candidates we created special selection criteria and structural patterns to identify potentially active molecules. This algorithm has been applied to Enamine’s Fragment Collection to reflect the most promising structures. The library was finalized with cluster-based diversity selections and manual review.
Typical Formats
Catalog No.
CNSF-1280-X-50-100
Compounds
1 280
16 plates
Amount
50 µL of 100 mM DMSO solutions
Plates and formats
96-well plates, first and last columns empty, 2D-barcoded vials (optional), 80 compounds per plate
Price
Catalog No.
CNSF-1280-Y-10-100
Compounds
1 280
4 plates
Amount
10 µL of 100 mM DMSO solutions
Plates and formats
384-well plates, 1, 2 & 23, 24 columns empty; 320 compounds per plate
Price
Catalog No.
CNSF-1280-Y-25-100
Compounds
1 280
4 plates
Amount
25 µL of 100 mM DMSO solutions
Plates and formats
384-well plates, 1, 2 & 23, 24 columns empty; 320 compounds per plate
Price
Catalog No.
CNSF-1280
Compounds
1 280
Amount
Custom
Plates and formats
Any custom format
Price
Download SD file
Key features
- High CNS scores: CNS MPO > 4.0 & QikProp CNS > 0
- Preferred scaffolds and chemotypes
- Rigorous MedChem filters and structure review
| Parameter | Range | Parameter | Range |
|---|---|---|---|
| MW | < 200 | RotBonds | ≤ 3 |
| ClogP | < 3.0 | ClogP-(N+O) | > -2.0 |
| PSA | ≤ 60 Å2 | Fsp3 | 0.15 ... 0.8 |
| Hb Donor | ≤ 3 | Ring count | ≤ 3 |
| Hb Acceptor | ≤ 5 | Basic Nitrogen | ≤ 2 |
| Total H-bonding | < 8 | S, Cl atoms | ≤ 2 |
| Carboxylic acids | ≤ 1, no more than 10% of CA | ||
| No more than 2 amide bonds, 87% with one amide bond | |||
| No quaternary Nitrogen, no NO2, Br, I, P | |||
Novelty
Compounds included into CNS focused Library were selected from all three screening collections - HTS, Advanced and Premium. Preference was given to the compounds synthesized within the last 4 years, based on innovative scaffolds and with use of advanced building blocks to enhance the novelty value of the library.
Molecular properties
