Table 1.
Theoretical compound physico-chemistry and ADME information [12]
Physico-chemistry | LogP | 2.5 |
pKa | NA (neutral) | |
MW | 350 g/mol (0 halogens) | |
ADME | Fup | 0.1 |
Binding protein | albumin | |
CLint,3A4 (hepatic) | 0.25 1/min/umol CYP3A4 |
CLint,3A4, intrinsic clearance intrinsic clearance of (hepatic) isozyme CYP3A4; fup, plasma fraction unbound; LogP, logarithm of the octanol-water partition coefficient (lipophilicity); MW, molecular weight; pKa, negative logarithm of the acid dissociation constant; NA, not applicable