A 2D-QSAR and Grid-Independent Molecular Descriptor (GRIND) Analysis of Quinoline-Type Inhibitors of Akt2: Exploration of the Binding Mode in the Pleckstrin Homology (PH) Domain.

Overall, a decreasing trend in the inhibitory potency and lipophilic efficiency of compounds 6 , 9 and 10 (IC 50 ( 6 / 9 / 10 ): 0.22 μM, 0.59 μM, 3.71 μM) (LipE ( 6 / 9 / 10 ): 4.93, 3.51, 4.58) was observed in the absence of the piperazine ring and the replacement of propanamide chain with a primary amino, sulphide, and ether derivative at the R1 position, respectively.

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