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SAR exploration of the benzyl group moiety.
 | ||||
| Compd. | R | Inhibition against SMS2 @ 1 μmol/L (%)a | Inhibition against SMS1 @ 100 μmol/L (%)a | ClogPb |
| 5a |  |
66 | 20 | 3.07 |
| 9a |  |
86 | 39 | 4.01 |
| 9b |  |
36 | 42 | 4.00 |
| 9c |  |
79 | 5 | 4.79 |
| 9d |  |
45 | 21 | 3.37 |
| 9e |  |
−11 | 67 | 4.32 |
| 10 |  |
−3 | ‒16 | 2.71 |
SMS activity is measured by purified SMS enzyme inhibitory assay in vitro. The results are expressed as the mean of duplicates.
ClogP is predicted by SwissADME.
