TABLE 4.
Pharmacokinetic properties of the key compounds.
| Compound | RO5 a | %HOA b | CNS c | QPlogBB d | QPlogHERG e | LD50 (mg/kg) | Toxicity class f | Hepatotoxicity |
|---|---|---|---|---|---|---|---|---|
| Emodin | 0 | 68.29 | −2 | −1.53 | −4.32 | 5,000 | V | Inactive |
| Rhein | 0 | 47.47 | −2 | −1.97 | −2.70 | 5,000 | V | Inactive |
| Quercetin | 0 | 52.20 | −2 | −2.40 | −5.13 | 159 | III | Inactive |
a
Note: acceptable range: Max.4.
b
acceptable range: 0–100.
c
acceptable range: −2 (inactive) +2 (active).
d
acceptable range: −3.0 to 1.2.
e
acceptable range: <−5.
f
[Class I: death after swallowing (LD50 ≤ 5); Class II: death after swallowing (5 < LD50 ≤ 50); Class III: toxic after swallowing (50 < LD50 ≤ 300); Class IV: harmful after swallowing (300 < LD50 ≤ 2000); Class V: may be harmful after swallowing (2000 < LD50 ≤ 5,000); Class VI: non-toxic (LD50 > 5,000)].