Tocriscreen GPCR Compound Library

Class A GPCR phylogenetic tree illustrating the pharmacological diversity of the Tocriscreen GPCR Compound Library. The 240 compounds in the Tocriscreen GPCR Compound Library target over 120 GPCRs. Targets are evenly spread across all the GPCR classes with a particular focus on class A, mixing well-established targets such as 5-HT and adenosine receptors, as well as orphan GPCRs such as GPR35 and GPR171. To view a larger PDF version of this image, please click on the ‘GPCR tree’ link in the product description.Adapted from GPCRdb (www.gpcrdb.org/ligand/coverage).

Chemical diversity of the Tocriscreen GPCR Compound Library. The image shows the overlapping chemical space of the 240 compounds in the Tocriscreen GPCR Compound Library (green dots) in relation to the chemical space occupied by the ChEMBL GPCR compound Chemical Space* (grey dots). Each dot represents a unique fingerprint generated from each compound’s 3D molecular structure. The even distribution of the fingerprints of the compounds in the Tocriscreen GPCR Compound Library highlights the chemical diversity of this library.*The ChEMBL GPCR compound Chemical Space used for this study is defined as a subset of ChEMBL with activities < 1 μM on any of the GPCRs listed in ChEMBL, with a molecular weight between 150 and 550 Da, AlogP between (-2) and 6 and a maximum of one Lipinski rule of 5 violation. This subset contains over 77k compounds.