Experimental and predicted BRAFV600E inhibitory IC50 values of pyrimidine–sulfonamide hybrid derivatives used in current study.
| S. No. | R1 | X | n | R2 | IC50 (nM) | pIC50 | Predicted pIC50 values (Gaussian) | Ref. |
|---|---|---|---|---|---|---|---|---|
| 1 |
|
F | 1 | OH | 5.620 | 8.250 | 7.802 | 52 |
| 2 |
|
F | 1 | OH | 26.300 | 7.580 | 7.901 | 52 |
| 3 |
|
F | 1 | OH | 30.300 | 7.519 | 7.748 | 52 |
| 4 |
|
F | 1 | OH | 8.680 | 8.061 | 7.858 | 52 |
| 5 |
|
F | 1 | OH | 2.490 | 8.604 | 8.436 | 52 |
| 6 |
|
Cl | 1 | OH | 4.250 | 8.372 | 7.824 | 52 |
| 7 |
|
Cl | 1 | OH | 21.800 | 7.662 | 7.923 | 52 |
| 8 |
|
Cl | 1 | OH | 14.800 | 7.830 | 7.770 | 52 |
| 9 |
|
Cl | 1 | OH | 7.810 | 8.107 | 8.464 | 52 |
| 10 |
|
— | 2 | F | 22.300 | 7.652 | 7.440 | 51 |
| 11 |
|
— | 3 | F | 89.000 | 7.051 | 7.376 | 51 |
| 12 |
|
— | 3 | F | 26.000 | 7.585 | 7.575 | 51 |
| 13 |
|
— | 3 | F | 25.100 | 7.600 | 7.773 | 51 |
| 14 |
|
— | 3 | F | 16.200 | 7.790 | 7.778 | 51 |
| 15 |
|
— | 3 | F | 9.300 | 8.032 | 7.778 | 51 |
| 16 |
|
— | 2 |
|
28.300 | 7.543 | 7.615 | 53 |
| 17 |
|
— | 2 |
|
59.100 | 7.228 | 7.403 | 53 |
| 18 |
|
— | 2 |
|
141.000 | 6.851 | 7.323 | 53 |
| 19 |
|
— | 2 |
|
23.400 | 7.631 | 7.375 | 53 |
| 20 |
|
— | 2 |
|
16.700 | 7.777 | 7.611 | 53 |
| 21 |
|
— | 2 |
|
73.700 | 7.133 | 7.598 | 53 |
| 22 |
|
— | 2 |
|
12.700 | 7.896 | 8.112 | 53 |
| 23 |
|
— | 2 |
|
152.000 | 6.818 | 6.651 | 53 |
| 24 |
|
— | 3 |
|
13.500 | 7.870 | 8.067 | 53 |
| 25 |
|
— | 3 |
|
11.400 | 7.943 | 7.721 | 53 |
| 26 |
|
— | 3 |
|
20.400 | 7.690 | 8.326 | 53 |
| 27 |
|
— | 3 |
|
4.310 | 8.366 | 8.332 | 53 |
| 28 |
|
— | 3 |
|
6.210 | 8.207 | 8.286 | 53 |
| 29 |
|
— | 3 |
|
24.500 | 7.611 | 7.758 | 53 |
| 30 |
|
— | 3 |
|
1.200 | 8.921 | 8.331 | 53 |
| 31 |
|
— | 3 |
|
4.310 | 8.366 | 8.332 | 53 |
| 32 |
|
— | 3 |
|
6.210 | 8.207 | 8.286 | 53 |
| 33 |
|
— | 3 |
|
25.100 | 7.600 | 7.507 | 53 |
| 34 |
|
— | 3 |
|
9.300 | 8.032 | 7.741 | 53 |
| 35 |
|
— | 3 |
|
131.0 | 6.883 | 7.454 | 53 |
| 36 |
|
— | 3 |
|
20.0 | 7.699 | 7.453 | 53 |
| 37 |
|
— | 3 |
|
35.0 | 7.456 | 7.407 | 53 |
| 38 |
|
— | 2 | — | 1910.0 | 5.719 | 5.987 | 54 |
| 39 |
|
— | 2 | — | 740.0 | 6.131 | 6.055 | 54 |
| 40 |
|
— | 2 | — | 820.0 | 6.086 | 6.066 | 54 |
| 41 |
|
— | 2 | — | 910.0 | 6.041 | 6.066 | 54 |
| 42 |
|
— | 2 | — | 620.0 | 6.208 | 6.183 | 54 |
| 43 |
|
— | 2 | — | 980.0 | 6.009 | 6.043 | 54 |
| 44 |
|
— | 2 | — | 790.0 | 6.102 | 5.993 | 54 |
| 45 |
|
— | 3 | — | 1120.0 | 5.951 | 6.045 | 54 |
| 46 |
|
— | 3 | — | 530.0 | 6.276 | 6.062 | 54 |
| 47 |
|
— | 3 | — | 790.0 | 6.102 | 6.056 | 54 |
| 48 |
|
— | 3 | — | 810.0 | 6.092 | 6.043 | 54 |
| 49 |
|
— | 3 | — | 490.0 | 6.310 | 6.259 | 54 |
| 50 |
|
— | 3 | — | 820.0 | 6.086 | 6.185 | 54 |
| 51 |
|
— | 3 | — | 1280.0 | 5.893 | 6.409 | 54 |