Observed and estimated anti-proliferative activity values for the tested piperidinecarboxamides 24–47 according to the BMLR-QSAR models.
Entry | Compd | HCT116 | MCF7 | A431 | ||||||
---|---|---|---|---|---|---|---|---|---|---|
Observed IC50, μM | Estimated IC50, μM | Errora | Observed IC50, μM | Estimated IC50, μM | Errora | Observed IC50, μM | Estimated IC50, μM | Errora | ||
1 | 24 | 1.08 | 1.17 | −0.09 | 1.83 | 1.39 | 0.44 | 2.49 | 1.94 | 0.55 |
2 | 25 | 1.03 | 0.95 | 0.08 | 2.09 | 2.50 | −0.41 | 2.51 | 2.21 | 0.30 |
3 | 26 | 1.43 | 1.39 | 0.04 | 2.48 | 2.50 | −0.02 | 2.83 | 2.80 | 0.03 |
4 | 27 | 1.61 | 1.29 | 0.32 | 2.95 | 2.62 | 0.33 | 2.56 | 4.25 | −1.69 |
5 | 28 | 1.31 | 1.60 | −0.29 | 2.58 | 2.51 | 0.07 | 2.58 | 2.65 | −0.07 |
6 | 29 | 0.70 | 0.72 | −0.02 | 1.33 | 1.58 | −0.25 | 1.29 | 1.08 | 0.21 |
7 | 30 | 0.58 | 0.60 | −0.02 | 1.13 | 0.89 | 0.24 | 0.64 | 0.92 | −0.28 |
8 | 31 | 1.03 | 0.88 | 0.15 | 1.44 | 1.54 | −0.10 | 1.24 | 1.81 | −0.57 |
9 | 32 | 1.04 | 0.91 | 0.13 | 2.35 | 2.12 | 0.23 | 1.31 | 1.39 | −0.08 |
10 | 33 | 1.13 | 0.93 | 0.20 | 2.14 | 2.00 | 0.14 | 1.45 | 1.76 | −0.31 |
11 | 34 | 0.56 | 0.59 | −0.03 | 2.34 | 2.07 | 0.27 | 1.27 | 1.00 | 0.27 |
12 | 35 | 0.56 | 0.53 | 0.03 | 1.36 | 1.46 | −0.10 | 1.20 | 1.07 | 0.13 |
13 | 36 | 0.62 | 0.69 | −0.07 | 1.71 | 2.18 | −0.47 | 1.31 | 0.98 | 0.33 |
14 | 37 | 0.57 | 0.63 | −0.06 | 2.32 | 2.51 | −0.19 | 1.18 | 1.03 | 0.15 |
15 | 38 | 0.56 | 0.56 | 0.00 | 2.16 | 2.53 | −0.37 | 1.33 | 1.38 | −0.05 |
16 | 39 | 1.44 | 1.36 | 0.08 | 3.96 | 4.46 | −0.50 | 2.57 | 2.79 | −0.22 |
17 | 40 | 2.73 | 2.87 | −0.14 | 5.10 | 4.52 | 0.58 | 4.90 | 6.04 | −1.14 |
18 | 41 | 2.26 | 3.71 | −1.45 | 4.58 | 4.87 | −0.29 | 2.64 | 3.32 | −0.68 |
19 | 42 | 22.98 | 3.43 | 19.55 | 4.90 | 5.10 | −0.20 | 8.75 | 6.78 | 1.97 |
20 | 43 | 1.23 | 1.29 | −0.06 | 3.96 | 4.38 | −0.42 | 2.72 | 3.09 | −0.37 |
21 | 44 | 1.11 | 0.94 | 0.17 | 4.17 | 3.94 | 0.23 | 2.85 | 3.18 | −0.33 |
22 | 45 | 1.38 | 1.55 | −0.17 | 5.85 | 5.82 | 0.03 | 11.35 | 10.62 | 0.73 |
23 | 46 | 1.50 | 1.71 | −0.21 | 5.73 | 5.13 | 0.60 | 8.83 | 5.63 | 3.20 |
24 | 47 | 1.29 | 1.72 | −0.43 | 4.89 | 4.74 | 0.15 | 7.98 | 6.53 | 1.45 |
Error is the difference between the observed and estimated bio-activity values.