Chlorine dioxide
| Predicted ADME Properties | |||||
|---|---|---|---|---|---|
| Type | Property | Tool | Interpretation | Probability/Value | |
| Absorption | Caco-2 permeability | admetSAR | High | 87.24 % | |
| pkCSM | cm/s | ||||
| Human Intestinal Absorption | admetSAR | High | 90.31 % | ||
| pkCSM | nan % | ||||
| SwissADME | - | ||||
| Human Oral Bioavailability | admetSAR | High Bioavailability | 96.84 % | ||
| Log Kp (Skin permeation) | pkCSM | logkp (cm/h) | |||
| SwissADME | - | logkp (cm/s) | |||
| Distribution | P-glycoprotein substrate | admetSAR | Low | 5.16 % | |
| pkCSM | - | ||||
| SwissADME | - | ||||
| vNN | No Prediction | - | |||
| P-glycoprotein inhibitor | admetSAR | Low | 0.99 % | ||
| vNN | No Prediction | - | |||
| P-glycoprotein inhibitor I | pkCSM | - | |||
| P-glycoprotein inhibitor II | pkCSM | - | |||
| Blood Brain Barrier | admetSAR | High | 92.13 % | ||
| pkCSM | logBB | ||||
| SwissADME | - | ||||
| vNN | No Prediction | - | |||
| CNS permeability | pkCSM | logPS | |||
| Fraction unbound in human | pkCSM | - | |||
| Plasma protein binding | admetSAR | 12.21 % | Weak | ||
| Steady state volume of distribution (VDss) | pkCSM | log(L/kg) | |||
| Metabolism | CYP1A2 inhibitor | admetSAR | Low | 34.58 % | |
| pkCSM | - | ||||
| SwissADME | - | ||||
| vNN | No Prediction | - | |||
| CYP2C19 inhibitor | admetSAR | Low | 16.24 % | ||
| pkCSM | - | ||||
| SwissADME | - | ||||
| vNN | No Prediction | - | |||
| CYP2C9 inhibitor | admetSAR | Low | 12.55 % | ||
| pkCSM | - | ||||
| SwissADME | - | ||||
| vNN | No Prediction | - | |||
| CYP2C9 substrate | admetSAR | Low | 37.34 % | ||
| CYP2D6 inhibitor | admetSAR | Low | 5.88 % | ||
| pkCSM | - | ||||
| SwissADME | - | ||||
| vNN | No Prediction | - | |||
| CYP2D6 substrate | admetSAR | Low | 45.72 % | ||
| pkCSM | - | ||||
| CYP3A4 inhibitor | admetSAR | Low | 0.43 % | ||
| pkCSM | - | ||||
| SwissADME | - | ||||
| vNN | No Prediction | - | |||
| CYP3A4 substrate | admetSAR | High | 52.05 % | ||
| pkCSM | - | ||||
| Human Liver Microsomal (HLM) stability assay | vNN | No Prediction | - | ||
| OATP2B1 inhibitor | admetSAR | Low | 9.04 % | ||
| OATP1B1 inhibitor | admetSAR | High | 98.75 % | ||
| OATP1B3 inhibitor | admetSAR | High | 99.36 % | ||
| MATE1 inhibitor | admetSAR | Low | 6.79 % | ||
| BSEP inhibitor | admetSAR | Low | 4.47 % | ||
| UGT catalysis | admetSAR | Low | 9.49 % | ||
| Excretion | Renal OCT2 inhibitor | admetSAR | Low | 7.56 % | |
| Renal OCT2 substrate | pkCSM | - | |||
| Total clearance | pkCSM | - | ml/min/kg | ||
| Predicted Toxicity properties | ||||
|---|---|---|---|---|
| Property | Tool | Interpretation | Probability/Value | |
| Acute oral toxicity | admetSAR | - | -2.19490098953247 log(mg/kg) | |
| ProTox | - | 165 mg/kg | ||
| Acute oral toxicity class | admetSAR | High | 96.02 % | |
| ProTox | 3 | - | ||
| Biodegradation | admetSAR | Low | 44.86 % | |
| Toxtree | Class 3 (unknown biodegradability) | - | ||
| Carcinogens | admetSAR | High | 70.92 % | |
| Toxtree | No | - | ||
| Cramer's rule | Toxtree | High (Class III) | - | |
| Cytotoxicity | vNN | NoPrediction | - | |
| Genotoxic carcinogenity | Toxtree | No | - | |
| Hepatotoxicity | admetSAR | High | 86.85 % | |
| pkCSM | - | |||
| vNN | NoPrediction | - | ||
| Human Ether-a-go-go-Related Gene Inhibitor | admetSAR | Low | 11.34 % | |
| vNN | NoPrediction | - | ||
| Human Ether-a-go-go-Related Gene Inhibitor I | pkCSM | - | ||
| Human Ether-a-go-go-Related Gene Inhibitor II | pkCSM | - | ||
| Mitochondrial Membrane Potential (MMP) | vNN | NoPrediction | - | |
| Maximum Recommended Tolerated Dose (MRTD) | pkCSM | log(mg/kg/day) | ||
| vNN | - | NoPrediction | ||
| Non-Genotoxic carcinogenicity | Toxtree | No | - | |
| Oral rat acute toxicity | pkCSM | - | log(mg/kg_bw/day) (LD50) | |
| pkCSM | - | log(mg/kg_bw/day) (LOAEL) | ||
| Micronucleus | admetSAR | Low | 46.86 % | |
| Skin sensitisation | pkCSM | - | ||
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