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)