Table 5.
Selected in silico ADME profiling for molecules 2 and 3 a.
Compound | Absorption | Distribution | ||
---|---|---|---|---|
HIA (%) | In Vitro Caco-2 Cell Permeability (nm s−1) | In Vitro PPB (%) | In Vivo BBB Penetration (Cbrain/Cblood) | |
2 | 100.0 | 57.31 | 94.39 | 2.01 |
3 | 95.86 | 36.43 | 100 | 0.57 |
4 | 95.30 | 26.33 | 67.75 | 0.77 |
a The properties related to ADME were predicted using PreADMET web-based application (http://preadmet.bmdrc.kr).