Table 3.
IC50 values of D1-D9 and E1-E5 against Human sEH (HsEH) and Murine sEH (MsEH)a.
|
||||||
|---|---|---|---|---|---|---|
| Compd. | R | Subst. | HsEH (nM) | MsEH (nM) | cLogPb | LLEc |
| D | -OH | 3 | 2.3 | 0.61 | 0.982 | 7.656 |
| D1 |
|
3 | 0.14 | 0.087 | 3.390 | 6.464 |
| D2 |
|
3 | 0.7 | 0.12 | 3.801 | 5.354 |
| D3 |
|
3 | 0.35 | 0.56 | 4.499 | 4.957 |
| D4 |
|
3 | 0.28 | 0.58 | 3.434 | 6.119 |
| D5 |
|
3 | 0.28 | 0.29 | 2.723 | 6.879 |
| D6 |
|
3 | 0.63 | 0.18 | 3.056 | 6.145 |
| D7 |
|
3 | 0.28 | 0.35 | 2.545 | 7.008 |
| D8 |
|
3 | 0.14 | 0.32 | 1.862 | 7.992 |
| D9 |
|
3 | 0.98 | 0.55 | 3.219 | 5.790 |
| E1 |
|
4 | 1.54 | 0.058 | 3.255 | 5.557 |
| E2 |
|
4 | 6.0 | 0.47 | 4.955 | 3.267 |
| E3 |
|
4 | 31.6 | 2.25 | 2.410 | 5.090 |
| E4 |
|
4 | 6.51 | 0.12 | 1.727 | 6.459 |
| E5 |
|
4 | 6.72 | 0.55 | 2.588 | 5.585 |
| A | - | - | 4.6 | 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.