Table 3.
Toxicity profile of selected metabolites.
Sl. No | Metabolites |
Toxicity predictors |
||||||
---|---|---|---|---|---|---|---|---|
AMES toxicity |
hERG I inhibitor |
hERG II inhibitor |
Oral Rat Acute Toxicity (LD50) |
Oral Rat Chronic Toxicity (LOAEL) |
Hepatotoxicity |
Skin Sensitisation |
||
Unit | Categorical (Yes/No) | Categorical (Yes/No) | Categorical (Yes/No) | Numeric (mol/kg) | Numeric (log mg/kg) | Categorical (Yes/No) | Categorical (Yes/No) | |
1 | Semicochliodinol A | NO | NO | YES | 2.58 | 2.832 | YES | NO |
2 | Semicochliodinol B | NO | NO | YES | 2.644 | 2.74 | YES | NO |
3 | SQ-02-S-L2 | NO | NO | NO | 2.38 | 2.238 | YES | NO |
4 | Chromophilone I, iso | NO | NO | NO | 2.197 | 0.711 | NO | NO |
5 | L-696,474 | NO | NO | NO | 2.972 | 0.631 | YES | NO |
6 | F13459 | NO | NO | NO | 2.436 | 3.145 | NO | NO |
7 | SQ-02-S-V1 | NO | NO | NO | 2.945 | 2.447 | YES | NO |
8 | Stachyflin | NO | NO | NO | 2.219 | 0.063 | YES | NO |
9 | L-696,475 | |||||||
10 | L-697,318 | NO | NO | NO | 3.07 | 0.633 | YES | NO |
11 | Stachyflin, acetyl | NO | NO | NO | 2.129 | 1.782 | NO | NO |
12 | A-108836 | NO | NO | NO | 2.323 | 2.532 | NO | NO |
13 | Integracide A (A-108835) | NO | NO | NO | 2.409 | 2.423 | NO | NO |
14 | Fleephilone | YES | NO | NO | 2.53 | 1.777 | NO | NO |
15 | Trichothecin | NO | NO | NO | 2.487 | 1.519 | NO | NO |
16 | Phycomysterol A | NO | NO | YES | 2.332 | 0.845 | NO | NO |
17 | Flazin | NO | NO | NO | 2.696 | 1.321 | YES | NO |
18 | Terpestacin | NO | NO | NO | 2.437 | 1.785 | NO | NO |