Phenotypic Screening Library

Special diversity library created for Phenotypic Screens

5 760 compounds

Phenotypic screening has proven its efficacy in drug discovery and become more and more popular approach in search of new actives. Recently researchers have concluded that sharp focused approaches such as target-based screening are useful but may also limit the breadth of new findings.

 

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Development of new phenotypic screening techniques within implementation of specially designed compound libraries makes this approach a powerful tool in repurposing, finding of new mechanism of action, investigation of signaling pathways and discovery of new biological targets. For successful screening campaign special attention must be paid to the source of chemical entities and their annotation. This requires access to richer, diverse and cross-linked biological data associated to chemical compounds. In order to meet all requirements, we designed special compound library intended for phenotypic screens.

The Library has been pre-plated for most convenient access and prompt delivery in various customized formats. Most popular library formats available for immediate supply are summarized in the table below:

Typical Formats

Catalog No.
Compounds
Amount
Format

Catalog No.

PSL-5760-0-Z-2

Compounds

5 760
5 plates

Amount

up to 300 nL of 2 mM or 10 mM DMSO solutions

Plates and formats

1536-well Echo plates, Labcyte Cat. No. LP-0400, 1280 compounds per plate, 1-4 and 44-48 columns empty

Catalog No.

PSL-5760-10-Y-10

Compounds

5 760
18 plates

Amount

10 µL of 10 mM DMSO stock solutions

Plates and formats

384-well plates Greiner Cat. No. 781280, 320 compounds per plate, 1, 2 and 23, 24 columns empty

Catalog No.

PSL-5760-50-X-10

Compounds

5 760
72 plates

Amount

50 µL of 10 mM DMSO stock solutions

Plates and formats

96-well plates, Greiner Cat. No. 650201, 80 compounds per plate, 1 and 12 columns emty

Catalog No.

PSL-5760

Compounds

5 760

Amount

Custom

Plates and formats

Any custom format

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Phenotypic Screening Library

Library code: PSL-5760

Version: 20 July 2020

5 760 compounds

Library Design

To create multipurpose phenotypic library we investigated an optimal balance between diversity of biological activities versus structural diversity of small molecules. The library includes 900+ approved drugs and most similar compounds with identified mechanism of action (T>85%, linear fingerprints). In addition, PSL is enriched with 2000+ of annotated potent inhibitors and their biosimilars, covering a broad diversity of biological targets. Compounds from PSL are cell-permeable and possess pharmacology-compliant physicochemical properties.

  • Approved drugs and most similar compounds with identified mechanism of action, over 2 000 molecules, that were found from Enamine Collection (T>87%, linear fingerprints).
  • Potent inhibitors or highly similar compounds to diversified protein targets, about 5 000 molecules.

Supporting biological data/documentation:

  • Provides easy access and analyze information from in-fields.
  • Covers different aspects: polypharmacology, number of targets and description.
  • Numbers and names of associated diseases are indicated for majority of compounds.

Figure below demonstrates chemical space distribution using 2D prop parameters (ClogP, fraction of Rotatable bonds, donor/acceptor count, etc.), normalized PMI vectors and distribution between classes of the most potent targets, total number of targets per compound and first level of Anatomical Therapeutic Chemical (ATC) Classification.

Our Phenotypic Library can be applied for screening against different protein classes and diseases, affecting adjacent tissues or individual body systems.

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