Table 2. Enzyme Activities for the Active, Synthesized Compounds and Predicted Properties.
Comp | IC50 (DNMT3B) μM | QPlogSa | QPlogPb | ClogPc |
---|---|---|---|---|
33a | 45.0 | –5.59 | 2.76 | 2.86 |
33f | 28.0 | –5.20 | 2.12 | 2.29 |
33g | 11.0 | –4.10 | 1.59 | 1.37 |
33b | 10.0 | –3.27 | 1.81 | 2.35 |
33h | 8.0 | –5.56 | 1.29 | 0.85 |
QikProp prediction of aqueous solubility, log S. S in mol/L.
QikProp and
ChemDraw predictions of octanol/water partition coefficient.