Table 2.
ADME/T properties of hit 1
| ID | Value |
|---|---|
| Blood brain penetration (c.brain/c.blood) | 0.321339 |
| Buffer_solubility_mg_L | 8382.42 |
| Caco2 | 20.4888 |
| CYP_2C19_inhibition | Inhibitor |
| CYP_2C9_inhibition | Inhibitor |
| CYP_2D6_inhibition | Non |
| CYP_2D6_substrate | Non |
| CYP_3A4_inhibition | Inhibitor |
| CYP_3A4_substrate | Non |
| Human intestinal absorption (HIA %) | 61.395127 |
| MDCK cell permeability | 17.2974 (nm/s) |
| Pgp_inhibition | Non |
| Plasma_Protein_Binding (%) | 88.402085 |
| Pure_water_solubility_mg_L | 922.464 |
| Skin_Permeability Logkp.cm/hour | − 4.86783 |
| SKlogD_value | 1.86206 |
| SKlogP_value | 1.86206 |
| SKlogS_buffer | − 1.55692 |
| SKlogS_pure | − 2.51534 |