Cadmium

Predicted ADME Properties
TypePropertyToolInterpretationProbability/Value
AbsorptionCaco-2 permeabilityadmetSARNA-
pkCSMHigh1.379 cm/s
Human Intestinal AbsorptionadmetSARNA-
pkCSMHigh100 %
SwissADMENA-
Human Oral BioavailabilityadmetSARNA-
Log Kp (Skin permeation)pkCSMHigh-2.574 cm/h
SwissADME-NA cm/s
DistributionP-glycoprotein substrateadmetSARNA-
pkCSMYes-
SwissADMENA-
vNNNo Prediction-
P-glycoprotein inhibitoradmetSARNA-
vNNNo Prediction-
P-glycoprotein inhibitor IpkCSMNo-
P-glycoprotein inhibitor IIpkCSMNo-
Blood Brain BarrieradmetSARNA-
pkCSMModerate0.012 logBB
SwissADMENA-
vNNNo Prediction-
CNS permeabilitypkCSMModerate-2.298 logPS
Fraction unbound in humanpkCSM-0.781
Plasma protein bindingadmetSARNANA
Subcellular localizationadmetSARNA-
Steady state volume of distribution (VDss)pkCSMModerate-0.035 L/Kg
MetabolismCYP1A2 inhibitoradmetSARNA
pkCSMNo-
SwissADMENA-
vNNNo Prediction-
CYP2C19 inhibitoradmetSARNA-
pkCSMNo-
SwissADMENA-
vNNNo Prediction-
CYP2C9 inhibitoradmetSARNA-
pkCSMNo-
SwissADMENA-
vNNNo Prediction-
CYP2C9 substrateadmetSARNA-
CYP2D6 inhibitoradmetSARNA-
pkCSMNo-
SwissADMENA-
vNNNo Prediction-
CYP2D6 substrateadmetSARNA-
pkCSMNo-
CYP3A4 inhibitoradmetSARNA-
pkCSMNo-
SwissADMENA-
vNNNo Prediction-
CYP3A4 substrateadmetSARNA-
pkCSMNo-
CYP inhibitory promiscuityadmetSARNA-
Human Liver Microsomal (HLM) stability assayvNNNo Prediction-
OATP2B1 inhibitoradmetSARNA-
OATP1B1 inhibitoradmetSARNA-
OATP1B3 inhibitoradmetSARNA-
MATE1 inhibitoradmetSARNA-
BSEP inhibitoradmetSARNA-
UGT catalysisadmetSARNA-
ExcretionRenal OCT2 inhibitoradmetSARNA-
Renal OCT2 substratepkCSMNo-
Total clearancepkCSM-0.576 ml/min/kg
Download
Predicted Toxicity properties
PropertyToolInterpretationProbability/Value
Acute oral toxicityadmetSAR-NA kg/mol
ProTox-890 mg/kg
Acute oral toxicity classadmetSARNA-
ProTox4-
BiodegradationadmetSARNA-
ToxtreeClass 3 (unknown biodegradability)-
Carcinogenicity (Three class)admetSARNA-
CarcinogensadmetSARNA-
ToxtreeNo-
Cramer's ruleToxtreeHigh (Class III)-
CytotoxicityvNNNoPrediction-
Genotoxic carcinogenityToxtreeNo-
HepatotoxicityadmetSARNA-
pkCSMNo-
vNNNoPrediction-
Human Ether-a-go-go-Related Gene InhibitoradmetSARNA
vNNNoPrediction-
Human Ether-a-go-go-Related Gene Inhibitor IpkCSMNo-
Human Ether-a-go-go-Related Gene Inhibitor IIpkCSMNo-
Mitochondrial Membrane Potential (MMP)vNNNoPrediction-
Maximum Recommended Tolerated Dose (MRTD)pkCSMHigh1.164 mg/kg/day
vNN-NoPrediction mg/day
Non-Genotoxic carcinogenicityToxtreeNo-
Oral rat acute toxicitypkCSM-2.217 mol/kg (LD50)
pkCSM-0.741 mg/kg_bw/day (LOAEL)
MicronucleusadmetSARNA-
Skin sensitisationpkCSMNo-
Download
Predicted Toxicity properties
PropertyToolInterpretationProbability/Value
Acute oral toxicityadmetSAR-NA NA
ProTox-890 mg/kg
Acute oral toxicity classadmetSARNA-
ProTox4-
BiodegradationadmetSARNA-
ToxtreeClass 3 (unknown biodegradability)-
Carcinogenicity (Three class)admetSARNA-
CarcinogensadmetSARNA-
ToxtreeNo-
Cramer's ruleToxtreeHigh (Class III)-
CytotoxicityvNNNo Prediction-
Genotoxic carcinogenityToxtreeNo-
HepatotoxicityadmetSARNA-
pkCSMNo-
vNNNo Prediction-
Human Ether-a-go-go-Related Gene InhibitoradmetSARNA
vNNNo Prediction-
Human Ether-a-go-go-Related Gene Inhibitor IpkCSMNo-
Human Ether-a-go-go-Related Gene Inhibitor IIpkCSMNo-
Mitochondrial Membrane Potential (MMP)vNNNo Prediction-
Maximum Recommended Tolerated Dose (MRTD)pkCSMHigh1.164 mg/kg/day
vNN-No Prediction mg/day
Non-Genotoxic carcinogenicityToxtreeNo-
Oral rat acute toxicitypkCSM-2.217 mol/kg (LD50)
pkCSM-0.741 mg/kg_bw/day (LOAEL)
MicronucleusadmetSARNA-
Skin sensitisationpkCSMNo-
Download

DISCLAIMER

We have built a comprehensive resource which compiles potential endocrine disrupting chemicals (EDCs) based on the observed adverse effects or endocrine-mediated endpoints in published experiments on humans or rodents to support basic research. We are not responsible for any errors or omissions in the published research articles or supporting literature on potential EDCs compiled in this resource. Users are advised to exercise their own judgement on the weight of evidence for potential EDCs compiled in this resource. Importantly, our sole goal to build this resource on potential EDCs is to enable future basic research towards better understanding of the systems-level perturbations upon chemical exposure rather than influencing regulatory advice on chemical use.