Table 5.
IC50 values of H1-H4 and I1-I8 against Human sEH(HsEH) and Murine sEH (MsEH)a.
|
||||||
|---|---|---|---|---|---|---|
| Compd. | X | R | HsEH (nM) | MsEH (nM) | cLogPb | LLEc |
| H1 |
|
|
0.9 | 0.39 | 3.198 | 5.848 |
| H2 |
|
|
1.0 | 0.35 | 4.117 | 4.883 |
| H3 |
|
|
1.0 | 0.13 | 3.470 | 5.530 |
| H4 |
|
|
19.6 | 0.8 | 3.788 | 3.920 |
| I1 |
|
|
0.49 | 0.11 | 3.191 | 6.119 |
| I2 |
|
|
0.33 | 0.07 | 3.858 | 5.623 |
| I3 |
|
|
0.77 | 0.16 | 4.777 | 4.337 |
| I4 |
|
|
1.1 | 0.41 | 3.834 | 5.125 |
| I5 |
|
|
4.69 | 0.61 | 3.392 | 4.937 |
| I6 |
|
|
58.1 | 1.25 | 2.881 | 5.986 |
| I7 |
|
|
2.59 | 0.67 | 4.07 | 4.517 |
| I8 |
|
|
2.1 | 1.37 | 4.768 | 3.910 |
| A | - | 4. | 1.3 | 3.358 | 4.979 | |
| t-TUCB | - | 0.28 | 2.8 | 5.489 | 4.064 | |
a
IC50 values were recorded on recombinant human sEH (HsEH) and murine sEH (MsEH) using PHOME as substrate at 50 mM concentration.
b
The cLogP values were predicted by BIOVIA Discovery Studio 2016.
c
Ligand lipophilicity efficiency (LLE) = pIC50-cLogP.