Phenotypic screening (PS) is one of the two major approaches at early stage drug discovery projects, apart from the target-based screens. PS is focused on the overall effect a drug molecule causes in the cell rather than an effect found for a single target.
In addition, PS can reveal much more information on the disease phenotype: it emerges in identifying all the targets associated with this phenotype, not to mention that new non-described targets could be discovered. Its another advantage is in the simultaneous control of the cell permeability and toxicity of the screened compounds.
The target identification in PS is a complex problem but the outcome could be very attractive: a number of new, first-in-class drugs have been discovered through phenotypic screens.
To create Chemspace PS library, we have selected the compounds with activity annotations in ChEMBL from Chemspace Screening Compound set. Compounds have favorable physicochemical profiles. PAINS and toxic molecules have been removed. Each molecule is annotated with UniProt codes list of reported targets.