Table 1. The structures and experimental activities of GSK3β inhibitors. (Positions other than para substitution of R3 are indicated explicitly in the table by ortho or meta, Where the R3 group of the Cpd8 is in the meta position of R2, the R3 group of Cpd9 is in the ortho position of R2).
No. | R1 | R2 | R3 | IC50/(nm) | PIC50 | |||||
---|---|---|---|---|---|---|---|---|---|---|
5 | H | H | H | 41 | 7.387 | |||||
8 | H | H | 74 | 7.131 | ||||||
9 | H | H | 300 | 6.523 | ||||||
10 | F | H | 1.3 | 9.114 | ||||||
11 | CH3 | H | 0.46 | 9.337 | ||||||
12 | CF3 | H | 1.1 | 8.959 | ||||||
13 | CH3 | CH3 | 1.5 | 8.824 | ||||||
14 | H | F | 9 | 8.046 | ||||||
15 | H | CH3 | 6.3 | 8.201 | ||||||
16 | H | H | 2 | 8.699 | ||||||
*17 | H | H | 18 | 7.745 | ||||||
*18 | H | H | 4.9 | 8.31 | ||||||
No. | R1 | R2 | R3 | IC50/(nm) | PIC50 | |||||
*19 | H | H | 4.4 | 8.357 | ||||||
20 | H | H | 0.4 | 9.398 | ||||||
21 | H | H | 12 | 7.921 | ||||||
22 | H | H | 0.67 | 9.174 | ||||||
*23 | H | H | 20 | 7.699 | ||||||
*24 | H | H | 8.4 | 8.076 | ||||||
37 | H | H | 3.1 | 8.509 | ||||||
38 | H | H | 16 | 7.796 | ||||||
No. | R | X | Y | IC50/(nm) | PIC50 | |||||
27 | NH2 | C | C | 120 | 6.921 | |||||
28 | NH2 | N | C | 64 | 7.194 | |||||
41 | H | N | N | 370 | 6.432 | |||||
No. | R3 | R5 | IC50/(nm) | PIC50 | ||||||
25 | 0.22 | 9.658 | ||||||||
26 | 0.48 | 9.319 | ||||||||
44 | 12 | 7.921 | ||||||||
45 | 690 | 6.161 | ||||||||
46 | 0.99 | 9.004 | ||||||||
49 | 74 | 7.131 | ||||||||
*50 | 90 | 7.046 | ||||||||
*51 | 22 | 7.658 |
* The test set molecules.