No. | R1 | R2 | X | Formule | IC50a (nM) | Log P | No violation |
1 | H | H | H | C14H11N3 | 344 | 3.14 | 0 |
2 | H | H | F | C14H10FN3 | 56 | 3.62 | 0 |
3 | H | H | Cl | C14H10ClN3 | 23 | 4.03 | 0 |
4 | H | H | Br | C14H10BrN3 | 27 | 4.34 | 0 |
5 | H | H | I | C14H10IN3 | 80 | 4.60 | 0 |
6 | H | H | CF3 | C15H10F3N3 | 577 | 4.35 | 0 |
7 | OMe | H | H | C15H13N3O | 55 | 3.05 | 0 |
8 | OMe | H | H | C15H12BrN3O | 30 | 4.26 | 0 |
9 | NH2 | H | H | C14H12N4 | 770 | 1.86 | 0 |
10 | NH2 | H | CF3 | C15H11F3N4 | 574 | 3.07 | 0 |
11 | NH2 | H | Br | C14H11BrN4 | 0.78 | 3.06 | 0 |
12 | NO2 | H | H | C14H10N4O213 | 5000 | 2.87 | 0 |
13 | NO2 | H | Br | C14H9BrN4O2 | 900 | 4.07 | 0 |
14 | NO2 | H | CF3 | C15H9F3N4O2 | >104 | 4.08 | 0 |
15 | H | MeO | H | C15H13N3O | 120 | 3.05 | 0 |
16 | H | MeO | Br | C15H12BrN3O | 10 | 4.26 | 0 |
17 | H | NH2 | H | C14H12N4 | 100 | 1.86 | 0 |
18 | H | NH2 | F | C14H11FN4 | 2.0 | 2.34 | 0 |
19 | H | NH2 | Cl | C14H11ClN4 | 0.25 | 2.75 | 0 |
20 | H | NH2 | Br | C14H11BrN4 | 0.1 | 3.06 | 0 |
21 | H | NH2 | I | C14H11IN4 | 0.35 | 3.32 | 0 |
22 | H | NH2 | CF3 | C15H11F3N4 | 3.3 | 3.07 | 0 |
23 | H | NO2 | H | C14H10N4O2 | 1.2 × 104 | 2.87 | 0 |
24 | H | NO2 | F | C14H9FN4O2 | 6100 | 3.35 | 0 |
25 | H | NO2 | Cl | C14H9CIN4O2 | 810 | 3.76 | 0 |
26 | H | NO2 | Br | C14H9BrN4O2 | 1000 | 4.07 | 0 |
27 | H | NO2 | I | C14H9IN4O2 | 540 | 4.33 | 0 |
28 | H | NO2 | CF3 | C15H9F3N4O2 | >104 | 4.08 | 0 |
29 | OMe | OMe | H | C16H15N3O2 | 29 | 2.87 | 0 |
30 | OMe | OMe | F | C16H14FN3O2 | 3.8 | 3.36 | 0 |