Таблица 1. Тип и заместители (рис. 1), биологическая активность (-lg(IC50), мкМ) и значения дескрипторов (D1 ÷ D7) соединений.
|
№ |
Тип |
R1 |
R2 |
R3 |
-lg(IC50) |
D1 |
D2 |
D3 |
D4 |
D5 |
D6 |
D7 |
|
1 |
I |
Cl |
Cl |
H |
-2.217 |
10 |
1.277 |
-0.304 |
-0.126 |
3.000 |
3.551 |
0 |
|
2 |
II |
CH3 |
H |
H |
-2.137 |
5 |
1.028 |
-0.344 |
-0.091 |
2.574 |
3.545 |
0 |
|
3 |
II |
F |
H |
H |
-2.114 |
5 |
1.001 |
-0.351 |
0.297 |
2.574 |
3.545 |
1 |
|
4 |
II |
H |
H |
H |
-2.083 |
2 |
1.001 |
-0.375 |
-0.050 |
2.537 |
3.544 |
1 |
|
5 |
II |
CH3 |
H |
CH3 |
-2.076 |
17 |
0.849 |
-0.378 |
-0.140 |
2.574 |
3.551 |
0 |
|
6 |
I |
H |
H |
H |
-2.064 |
2 |
1.277 |
-0.375 |
-0.050 |
2.817 |
3.549 |
1 |
|
7 |
II |
CH3 |
CH3 |
H |
-2.049 |
10 |
1.023 |
-0.304 |
-0.126 |
3.000 |
3.558 |
0 |
|
8 |
II |
H |
H |
CH3 |
-2.033 |
10 |
0.816 |
-0.407 |
-0.106 |
2.537 |
3.550 |
0 |
|
9 |
I |
Br |
Br |
CH3 |
-2.021 |
26 |
1.055 |
0.146 |
-0.525 |
3.137 |
3.556 |
0 |
|
10 |
II |
F |
H |
CH3 |
-2.021 |
17 |
0.816 |
-0.371 |
0.254 |
2.574 |
3.550 |
0 |
|
11 |
I |
Br |
Br |
H |
-1.926 |
10 |
1.277 |
0.165 |
-0.516 |
3.000 |
3.550 |
0 |
|
12 |
I |
H |
H |
CH3 |
-1.862 |
10 |
1.055 |
-0.407 |
-0.106 |
2.817 |
3.555 |
0 |
|
13 |
I |
Cl |
Cl |
CH3 |
-1.215 |
26 |
1.055 |
-0.341 |
-0.170 |
3.137 |
3.557 |
0 |
|
14 |
II |
CH3 |
CH3 |
CH3 |
-1.190 |
26 |
0.852 |
-0.341 |
-0.170 |
3.107 |
3.564 |
0 |
Примечание: D1 (BAC); D2 (CIC4); D3 (MATS7v); D4 (MATS8v); D5 (EEig10x); D6 (BEHe4); D7 (Psy-80)