1

Adenosine A3 receptor inhibition

0.850

diverse hA3AR antagonist candidates

2

CDK (cyclin-dependent kinase 5) /p25 inhibition

0.801

thiazoles

3

Anti HIV activity

0.769

2-amino-6-arylsulfonylbenzonitriles and derivates

4

Antimalarial activity (Plasmodium falciparum) #2

0.708

2,5-diaminobenzophenone deriv

5

Antimalaria activity (Plasmodium falciparum) #1

0.694

bisbenzamidines

6

Antitumor activity (cytotoxicity, human lung, EC50)

0.744

tylophorine derivatives

7

Antitumor activity (cytotoxicity, human lung, IC50)

0.721

bioisostere of benzophenanthridine alkaloids

8

Aryl hydrocarbon (AhR) receptor binding affinity

0.747

halogenoaromatics

9

Blood - brain barrier penetration

0.810

drugs

10

Brain serotonin-1A (5-HT1A) receptor inhibition #1

0.780

3,4 -Dhydro-2h-benzoxazinones, thienopyrimidinone derivatives, arylpiperazine compounds

11

Brain serotonin-1A (5-HT1A) receptor inhibition #2

0.729

compounds

12

Ca channel blockers

0.855

1,4-Dihydropyridines

13

Permeability caco-2 cell monolayer

0.724

drugs

14

Carbonic anhydrase transmembrane isozyme XIV inhibition

0.854

sulfonamides

15

hERG K channel inhibition

0.750

drugs

16

Caspace-3 inhibition #1

0.700

Isoquinoline-1,3,4-trione derivatives

17

CDK2 (cyclin-dependent kinase 2) inhibition

0.757

Pyrazolo[1,5-a]pyrimidines

18

Central benzodiazepine receptor (BzR) inhibition

0.860

2-aryl (heteroaryl)-2, 5-dihydropyrazolo [4, 3-c] quinolin-3-(3H)-ones

19

CXCR3 (chemokine receptor) inhibition

0.802

sulfonamides

20

Gamma-secretase inhibition

0.832

Thiazole-diamides

21

Human blood - air partition

0.874

div org

22

Human brain - air partition

0.899

div org

23

Human fat - air partition

0.860

div org

24

Human kidney - air partition

0.950

div org

25

Human liver - air partition

0.894

non H-bond organics

26

Human muscle - air partition

0.914

div org

27

Caspase-3 inhibition #2

0.750

Dipeptidyl aspartyl fluoromethylketones

28

Glycogen synthase kinase-3 Class  I inhibition 

0.873

maleimide derivates

29

Glycogen synthase kinase-3 Class III inhibition

0.797

2 sets of derivates

30

20S proteasome inhibition

0.817

tripeptide aldehydes

31

Norepinephrine reuptake inhibition

0.785

3-(1H-indol-1-yl)-3-arylpropan-1-amines

32

Platelet derived growth factor inhibition

0.711

1-phenylbenzimidazoles

33

Permeability PAMPA pH5.5

0.665

drugs

34

Permeability PAMPA pH7.4

0.759

drugs

35

Rat blood-brain barrier penetration

0.684

drugs

36

Rat fat - air partition

0.941

div org

37

Rat liver - air partition

0.928

div org

38

Rat muscle - air partition

0.947

div org

39

Serotonin reuptake inhibition

0.772

3-(1H-indol-1-yl)-3-arylpropan-1-amines