Lipinski rule of five violations
|
PSA
|
BBB level
|
Absorption level
|
PPB level
|
Solubility level
|
CYP2D6
|
Hepatoxicity level
|
---|
0
|
67.861
|
3
|
0
|
2
|
4
|
0
|
0
|
-
BBB stands for blood brain barrier, PSA stands for Polar surface area, PBP stands for plasma protein binding, CYP2D6 stands for Cytochrome P450 2D6
- PSA (60–70 Å2)
- BBB level (0 very high, 1 high, 2 medium, and 3 very low)
- Absorption level (0 good, 1 moderate, 2 low, and 3 very low)
- PPB (0 very high, 1 high, 2 medium, and 3 very low)
- Solubility level (4 very high, 3 high, 2 medium, and 1 very low)
- CYP2D6 (0 non-inhibitor and 1 inhibitor)
- Hepatoxicity level (0 is non toxic, 1 is toxic)