Table 1.
Infertile's pharmacokinetic (ADME) properties prediction in pkCSM analysis of similarity.
| Property | Model name | Predicted value | Unit |
|---|---|---|---|
| Absorption | Water solubility | 2.99 | Numeric (mmol/L) |
| Absorption | Caco2 permeability | −0,8980 | Numeric (log Papp in 10−6 cm/s) |
| Absorption | Intestinal absorption (human) | 0,0000 | Numeric (% Absorbed) |
| Absorption | Skin permeability | −2.7350 | Numeric (log Kp) |
| Absorption | P-glycoprotein substrate | Yes | Categorical (yes/no) |
| Absorption | P-glycoprotein I inhibitor | No | Categorical (yes/no) |
| Absorption | P-glycoprotein II inhibitor | No | Categorical (yes/no) |
| Distribution | VDss (human) | 44.9 | Numeric (mL/kg) |
| Distribution | Fraction unbound (human) | 0.8810 | Numeric (Fu) |
| Distribution | BBB permeability | −2.2160 | Numeric (log BB) |
| Distribution | CNS permeability | −6.1620 | Numeric (log PS) |
| Metabolism | CYP2D6 substrate | No | Categorical (yes/no) |
| Metabolism | CYP3A4 substrate | No | Categorical (yes/no) |
| Metabolism | CYP1A2 inhibitor | No | Categorical (yes/no) |
| Metabolism | CYP2C19 inhibitor | No | Categorical (yes/no) |
| Metabolism | CYP2C9 inhibitor | No | Categorical (yes/no) |
| Metabolism | CYP2D6 inhibitor | No | Categorical (yes/no) |
| Metabolism | CYP3A4 inhibitor | No | Categorical (yes/no) |
| Excretion | Total clearance | 4.06 | Numeric (ml/min/kg) |
| Excretion | Renal OCT2 substrate | No | Categorical (yes/no) |
VDss: volume of distribution at steady state; BBB: brain blood barrier; CNS: central nervous center; CYP: cytochrome P; OCT: organic cation transporter.