Table 1.
Standard levels of ADME descriptors from Accelrys Discovery studio 2.5
| Level | Aqueous Solubility Intensity | Intestinal Absorption Intensity | BBB a Intensity | PPB b % of binding | CYP450 c Value | Hepatotoxicity |
|---|---|---|---|---|---|---|
| 0 | Extremely low | Good | Very high | <90% | Non inhibitor | Extremely low |
| 1 | No, very low | Moderate | High | >90% | Inhibitor | |
| 2 | Yes, low | Low | Medium | >95% | ||
| 3 | Yes, good | Very low | Low | |||
| 4 | Yes, optimal | Undefined | Undefined | |||
| 5 | No, too soluble | |||||
| 6 | Unknown |
BBBa=Blood Brain Barrier, PPBb=Plasma Protein Binding, CYP450c=Cytochrome P450, Acceptable range of hydrogen bond acceptor=<10 and hydrogen bond donor=<5.