Table 1. Physicochemical and Druglike Properties of FR and YM.
FR | YM | ||
---|---|---|---|
exact mass (Da) | 1001.53 | 959.49 | |
heavy atoma count | 71 | 68 | |
number of defined stereocenters | 11 | 11 | |
specific rotationb ([α]D20) | –54.8 | –64.5 | |
rotatable bond count | 15 | 13 | |
polar surface area | 285 Å2 | 285 Å2 | |
calculated logP valuec | 1.86 | 1.37 | |
number of hydrogen bond donors | 5 | 5 | |
number of hydrogen bond acceptors | 22 | 22 | |
solubility in phosphate-buffered saline containing 1% dimethyl sulfoxide (DMSO)d | 189 ± 17 μM | 88 ± 12 μM | |
plasma protein binding | 35% | 79% | |
residence time of tritiated derivative at human platelet membranese | at 37 °C | 92.1 min | 3.8 min |
at 21 °C | 343.3 min | 13.4 min |