Table 1.
The properties of ADMET for cytarabine
| Properties | Units | |
|---|---|---|
| Absorption | ||
| Water solubility | − 1.689 | Numeric (log mol/L) |
| Caco2 permeability | 0.025 | Numeric (log Papp in 10–6 cm/s) |
| Intestinal absorption (human) | 43.155 | Numeric (% absorbed) |
| Skin Permeability | − 2.745 | Numeric (log Kp) |
| P-glycoprotein substrate | No | Categorical (yes/no) |
| P-glycoprotein I inhibitor | No | Categorical (yes/no) |
| P-glycoprotein II inhibitor | No | Categorical (yes/no) |
| Distribution | ||
| VDss (human) | − 0.025 | Numeric (log L/kg) |
| Fraction unbound (human) | 0.765 | Numeric (Fu) |
| BBB permeability | − 0.97 | Numeric (log BB) |
| CNS permeability | -4.023 | Numeric (log PS) |
| Metabolism | ||
| CYP2D6 substrate | No | Categorical (yes/no) |
| CYP3A4 substrate | No | Categorical (yes/no) |
| CYP1A2 inhibitor | No | Categorical (yes/no) |
| CYP2C19 inhibitor | No | Categorical (yes/no) |
| CYP2C9 inhibitor | No | Categorical (yes/no) |
| CYP2D6 inhibitor | No | Categorical (yes/no) |
| CYP3A4 inhibitor | No | Categorical (yes/no) |
| Excretion | ||
| Total clearance | 0.562 | Numeric (log mL/min/kg) |
| Renal OCT2 substrate | No | Categorical (yes/no) |
| Toxicity | ||
| AMES toxicity | No | Categorical (yes/no) |
| Max. tolerated dose (human) | 1.108 | Numeric (log mg/kg/day) |
| hERG I inhibitor | No | Categorical (Yes/No) |
| hERG II inhibitor | No | Categorical (Yes/No) |
| Oral rat acute toxicity (LD50) | 2.196 | Numeric (mol/kg) |
| Oral rat chronic toxicity (LOAEL) | 2.85 | Numeric (log mg/kg_bw/day) |
| Hepatotoxicity | No | Categorical (yes/no) |
| Skin sensitization | No | Categorical (yes/no) |
| T. pyriformis toxicity | 0.284 | Numeric (log µg/L) |
| Minnow toxicity | 3.675 | Numeric (log mM) |