Chemical, Target, and Bioactive Properties of Allosteric Modulation
Figure 4
(A) Scatter plots showing the molecular weight (x), LogD (y) and adherence to the rule of 5 (color) of allosteric and non-allosteric compounds.
The allosteric compounds represented a subset of the non-allosteric ligands; this image was conserved among most different target classes. (B) Scatter plots showing the molecular polar surface area fraction (x), solubility (y) and activity (color; pKi, pKd, pIC50, pEC50,). The area of high activity was observed to be narrower in the allosteric set versus than non-allosteric set. The non-allosteric compounds could display high affinity along a broader range of both properties.