Table 1.
| |||||||
---|---|---|---|---|---|---|---|
Compd | R1 | R2 | MW | CLogP | tPSA | Affinity IC50 (nM) | Log(IC50 ± SE) |
2 | H | 262.69 | 2.80 | 50.69 | 5.1 | −8.29 ± 0.09 | |
3 | H | 264.23 | 2.67 | 50.69 | 4.6 | −8.34 ± 0.08 | |
10 | H | 246.24 | 2.26 | 50.69 | 31.6 | −7.50 ± 0.09 | |
11 | H | 307.15 | 2.95 | 50.69 | 322 | −6.49 ± 0.08 | |
12 | H | 354.15 | 3.16 | 50.69 | 146 | −6.84 ± 0.10 | |
13 | H | 228.25 | 2.22 | 50.69 | 13.7 | −7.86 ± 0.10 | |
14 | H | 244.31 | 2.81 | 41.46 | 4.9 | −8.31 ± 0.07 | |
15 | F | 280.68 | 2.96 | 50.69 | 7.3 | −8.13 ± 0.11 | |
16 | F | 282.22 | 2.85 | 50.69 | 6.7 | −8.18 ± 0.10 | |
17 | F | 264.23 | 2.42 | 50.69 | 89.2 | −7.05 ± 0.10 | |
18 | H | 223.23 | 1.89 | 65.25 | 10.4 | −7.98 ± 0.05 | |
19 | H | 241.23 | 2.06 | 65.25 | 7.4 | −8.13 ± 0.04 | |
20 | H | 257.68 | 2.50 | 65.25 | 5.3 | −8.28 ± 0.04 | |
21 | H | 302.13 | 2.78 | 65.25 | 47 | −7.33 ± 0.08 | |
22 | H | 349.13 | 3.04 | 65.25 | 172 | −6.77 ± 0.08 | |
23 | H | 280.68 | 2.97 | 50.69 | 3.2 | −8.49 ± 0.07 | |
24 | H | 282.70 | 2.97 | 50.69 | 3.2 | −8.49 ± 0.11 | |
25 | H | 248.25 | 2.39 | 50.69 | 3.7 | −8.43 ± 0.03 |