Table 4 List of toxicity properties (organ toxicity, toxicity endpoints, Tox21-nuclear receptor signaling pathways, Tox21-Stress response pathway, fathead minnow LC50 (96 h), developmental toxicity, oral rat LD50,bioaccumulation factor) of the selected compounds
Endpoint | Target | ZINC12143050 | ZINC93457507 | ZINC08301324 | ZINC64165826 |
|---|---|---|---|---|---|
Organ toxicity | Hepatotoxicity | Inactive | Inactive | Inactive | Inactive |
Toxicity endpoints | Carcinogenicity | Inactive | Light active | Inactive | Inactive |
Immunotoxicity | Active | Inactive | Inactive | Inactive | |
Mutagenicity | Inactive | Inactive | Inactive | Inactive | |
Cytotoxicity | Inactive | Inactive | Inactive | Inactive | |
LD50 (mg/kg) | |||||
Toxicity class | 4 | 3 | 4 | 4 | |
Tox21-Nuclear receptor signaling pathways | Androgen Receptor (AR) | Inactive | Inactive | Inactive | Inactive |
Aryl hydrocarbon Receptor (AhR) | Inactive | Inactive | Inactive | Inactive | |
Tox21-Stress response pathway | Heat shock factor response element | Inactive | Inactive | Inactive | Inactive |
Fathead minnow LC50 (96 h) | mg/L | 0.11 | 0.31 | 0.44 | 0.6 |
48-h Daphnia magna LC50 | mg/L | 3.57 | 5.85 | 1.35 | 16.32 |
Developmental toxicity | value | 0.41 | 0.39 | 0.57 | 0.88 |
Oral rat LD50 | mg/kg | 841.35 | 1451.52 | 1237.43 | 701.62 |
Bioaccumulation factor | Log10 | 1.4 | 1.47 | 1.01 | 5.79 |