Table 2 Ligand efficiency metrics of 1, 4, 8, 24, 26 and 36.a

From: Development of Nurr1 agonists from amodiaquine by scaffold hopping and fragment growing

 

1

4

8

24

26

36

pEC50

4.7

4.8

5.2

6.4

5.8

7.0

LE

0.26

0.50

0.59

0.46

0.31

0.34

LLE

-0.48

1.99

3.28

1.86

0.34

2.18

SILE

1.79

2.21

2.45

2.64

2.18

2.59

  1. aLigand efficiency (LE), lipophilic ligand efficiency (LLE), and size-independent ligand efficiency (SILE) were computed according to ref. 62.
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