Table 1.
Observed and predicted anticancer activity against NSCLC of 9-heterocyclyl substituted 9H-purines derivatives.
| Compounds | R1 | R2 | IC50 (μM) | pIC50 (obs) | pIC50 (pred) | Residual |
|---|---|---|---|---|---|---|
| 1 | H |  |
0.11 | 6.958 | 6.726 | 0.231 |
| 2 | F |  |
0.58 | 6.236 | 6.124 | 0.112 |
| 3* | H |  |
0.012 | 7.921 | 7.607 | 0.313 |
| 4 | F |  |
0.027 | 7.568 | 7.48 | 0.087 |
| 5* | F |  |
0.12 | 6.921 | 7.222 | −0.301 |
| 6 | F |  |
0.28 | 6.553 | 6.709 | −0.156 |
| 7 | H |  |
0.53 | 6.276 | 6.919 | −0.643 |
| 8 | F |  |
1.22 | 5.914 | 6.332 | −0.418 |
| 9* | H |  |
0.065 | 7.187 | 6.875 | 0.311 |
| 10 | F |  |
0.3 | 6.523 | 6.319 | 0.204 |
| 11* | F |  |
0.038 | 7.421 | 6.98 | 0.441 |
| 12 | F |  |
0.12 | 6.921 | 6.784 | 0.136 |
| 13 | H |  |
0.17 | 6.769 | 6.221 | 0.547 |
| 14 | H |  |
0.26 | 6.585 | 7.068 | −0.483 |
| 15* | H |  |
0.017 | 7.769 | 7.696 | 0.072 |
| 16 | H |  |
0.0016 | 8.796 | 8.058 | 0.738 |
| 17 | F |  |
0.38 | 6.421 | 6.534 | −0.113 |
| 18 | F |  |
1.52 | 5.818 | 5.638 | 0.179 |
| 19 | F |  |
1.81 | 5.742 | 5.722 | 0.019 |
| 20* | F |  |
0.0075 | 8.125 | 7.892 | 0.232 |
| 21 | H |  |
0.00088 | 9.055 | 8.919 | 0.135 |
| 22 | F |  |
0.35 | 6.456 | 7.092 | −0.635 |
| 23 | F |  |
0.0025 | 8.602 | 8.345 | 0.256 |
| 24 | F |  |
0.0018 | 8.745 | 8.029 | 0.715 |
| 25 | F |  |
0.0086 | 8.065 | 8.759 | −0.694 |
| 26* | F |  |
0.066 | 7.181 | 6.959 | 0.221 |
| 27 | F |  |
0.01 | 8 | 8.163 | −0.163 |
| 28 | F |  |
0.0075 | 8.125 | 8.179 | −0.054 |
| 29* | F |  |
0.05 | 7.301 | 7.023 | 0.278 |