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Table 1 In vitro Glucokinase assay and glide score of synthesized compounds (3, 4–10, 12, 13–19, 21, 22–28)

From: Quinazolin-4-one derivatives lacking toxicity-producing attributes as glucokinase activators: design, synthesis, molecular docking, and in-silico ADMET prediction

Compounds

Human GK Activation, EC50 (nM)

Glide score

I

II

III

Mean

3

566

647

685

632

− 6.44

4

580

450

520

516

− 6.24

5

944

832

846

874

− 4.89

6

780

890

830

833

− 4.95

7

1550

1420

1480

1483

− 3.64

8

1330

1250

1280

1286

− 3.85

9

1190

1310

1215

1238

− 4.29

10

1240

1290

1355

1295

− 4.56

12

1020

939

878

945

− 5.37

13

1055

1360

1195

1203

− 5.15

14

954

1096

1033

1027

− 5.55

15

1021

1040

1166

1075

− 4.96

16

1440

1720

1585

1581

− 3.33

17

1510

1230

1390

1376

− 3.42

18

1110

1416

1340

1288

− 3.66

19

1070

1260

1290

1206

− 3.75

21

1240

1355

1180

1258

− 4.12

22

1480

1550

1583

1537

− 3.96

23

1610

1840

1530

1660

− 3.54

24

1080

1350

1205

1211

− 3.62

25

1680

1845

1620

1715

− 2.94

26

1870

1560

1480

1636

− 3.02

27

1755

1485

1950

1730

− 3.32

28

1355

1520

1450

1441

− 3.37

RO-28-1675

353

388

405

382

− 6.39

Piragliatin

365

395

420

393

− 7.89