Fig. 3: Hit-to-lead decision tree. | Nature Communications

Fig. 3: Hit-to-lead decision tree.

From: From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia

Fig. 3: Hit-to-lead decision tree.The alternative text for this image may have been generated using AI.

Decision tree of the hit-to-lead optimization campaign showing the 9 key milestone compounds that drove the SAR optimization from masitinib (blue), dCKi1 (orange) and dCKi2 (green) to ORO0642 (magenta). For each compound the TSA (ΔTm, °C) and dCK cellular (IC50, nM) measured values are indicated. At each step, the modified portion of the molecule is highlighted by a colored disk and the overall modifications with regard to masitinib are highlighted in red.

Back to article page