Predicted Toxicity properties | ||||
---|---|---|---|---|
Property | Tool | Interpretation | Probability/Value | |
Acute oral toxicity | admetSAR | - | 3.567 kg/mol | |
ProTox | - | 800 mg/kg | ||
Acute oral toxicity class | admetSAR | III | - | |
ProTox | 4 | - | ||
Biodegradation | admetSAR | No | - | |
Toxtree | Class 2 (persistent chemical) | - | ||
Carcinogenicity (Three class) | admetSAR | Non-required | - | |
Carcinogens | admetSAR | Yes | - | |
Toxtree | No | - | ||
Cramer's rule | Toxtree | High (Class III) | - | |
Cytotoxicity | vNN | NoPrediction | - | |
Genotoxic carcinogenity | Toxtree | Yes | - | |
Hepatotoxicity | admetSAR | Yes | - | |
pkCSM | No | - | ||
vNN | NoPrediction | - | ||
Human Ether-a-go-go-Related Gene Inhibitor | admetSAR | No | ||
vNN | NoPrediction | - | ||
Human Ether-a-go-go-Related Gene Inhibitor I | pkCSM | No | - | |
Human Ether-a-go-go-Related Gene Inhibitor II | pkCSM | No | - | |
Mitochondrial Membrane Potential (MMP) | vNN | Yes | - | |
Maximum Recommended Tolerated Dose (MRTD) | pkCSM | High | 0.502 mg/kg/day | |
vNN | - | 8.5 mg/day | ||
Non-Genotoxic carcinogenicity | Toxtree | Yes | - | |
Oral rat acute toxicity | pkCSM | - | 2.294 mol/kg (LD50) | |
pkCSM | - | 2.963 mg/kg_bw/day (LOAEL) | ||
Micronucleus | admetSAR | Yes | - | |
Skin sensitisation | pkCSM | No | - |
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