Predicted pharmacokinetic properties (absorption, distribution, metabolism, and excretion) of compound 4c a.
| Absorption | |
| Model name | Predicted value |
| Water solubility | −3.823 mol L−1 |
| Human intestinal absorption (HIA) | 92.5 |
| Caco2 permeability | 0.82 cm s−1 |
| Skin permeability | −2.69 |
| Distribution | |
| BBB permeability | −0.21 |
| CNS permeability | −2.18 |
| Metabolism | |
| CYP1A2 inhibitor | Yes |
| CYP2D6 inhibitor | No |
| CYP3A4 substrate | Yes |
| Excretion | |
| Total clearance | 0.87 mL min−1 kg−1 |
| Renal OCT2 substrate | No |
a
HIA = human intestinal absorption [0–20 (poor), 20–70 (moderate), 70–100 (well)], Caco2 = In vitro Caco2 cell permeability, SP = skin permeability, BBB = blood–brain barrier permeability.