Predicted Absorption properties | |||
---|---|---|---|
Property | Tool | Interpretation | Probability/Value |
Caco-2 permeability | admetSAR | Yes | - |
pkCSM | High | 1.398 cm/s | |
Human Intestinal Absorption | admetSAR | Yes | - |
pkCSM | High | 95.655 % | |
SwissADME | High | - | |
Human Oral Bioavailability | admetSAR | Yes | - |
Log Kp (Skin permeation) | pkCSM | High | -2.543 cm/h |
SwissADME | - | -5.77 cm/s |
Predicted Distribution properties | |||
---|---|---|---|
Property | Tool | Interpretation | Probability/Value |
P-glycoprotein substrate | admetSAR | No | - |
pkCSM | No | - | |
SwissADME | No | - | |
vNN | No Prediction | - | |
P-glycoprotein inhibitor | admetSAR | No | - |
vNN | No Prediction | - | |
P-glycoprotein inhibitor I | pkCSM | Yes | - |
P-glycoprotein inhibitor II | pkCSM | No | - |
Blood Brain Barrier | admetSAR | Yes | - |
pkCSM | Moderate | -0.093 logBB | |
SwissADME | Yes | - | |
vNN | No Prediction | - | |
CNS permeability | pkCSM | Moderate | -2.045 logPS |
Fraction unbound in human | pkCSM | - | 0.078 |
Plasma protein binding | admetSAR | Moderate | 0.864 |
Subcellular localization | admetSAR | Mitochondria | - |
Steady state volume of distribution (VDss) | pkCSM | Low | -0.198 L/Kg |
Predicted Metabolism properties | |||
---|---|---|---|
Property | Tool | Interpretation | Probability/Value |
CYP1A2 inhibitor | admetSAR | Yes | |
pkCSM | Yes | - | |
SwissADME | Yes | - | |
vNN | No Prediction | - | |
CYP2C19 inhibitor | admetSAR | Yes | - |
pkCSM | Yes | - | |
SwissADME | Yes | - | |
vNN | No | - | |
CYP2C9 inhibitor | admetSAR | Yes | - |
pkCSM | Yes | - | |
SwissADME | Yes | - | |
vNN | No | - | |
CYP2C9 substrate | admetSAR | No | - |
CYP2D6 inhibitor | admetSAR | No | - |
pkCSM | No | - | |
SwissADME | No | - | |
vNN | No | - | |
CYP2D6 substrate | admetSAR | No | - |
pkCSM | No | - | |
CYP3A4 inhibitor | admetSAR | No | - |
pkCSM | No | - | |
SwissADME | No | - | |
vNN | No | - | |
CYP3A4 substrate | admetSAR | No | - |
pkCSM | Yes | - | |
CYP inhibitory promiscuity | admetSAR | Yes | - |
Human Liver Microsomal (HLM) stability assay | vNN | No Prediction | - |
OATP2B1 inhibitor | admetSAR | No | - |
OATP1B1 inhibitor | admetSAR | Yes | - |
OATP1B3 inhibitor | admetSAR | Yes | - |
MATE1 inhibitor | admetSAR | 0.94 | - |
BSEP inhibitor | admetSAR | Yes | - |
UGT catalysis | admetSAR | No | - |
Predicted Excretion properties | |||
---|---|---|---|
Property | Tool | Interpretation | Probability/Value |
Renal OCT2 inhibitor | admetSAR | No | - |
Renal OCT2 substrate | pkCSM | No | - |
Total clearance | pkCSM | - | -0.096 ml/min/kg |
NeurotoxKb is a comprehensive knowledgebase of potential environmental neurotoxicants specific to mammals compiled from well-established resources based on the observed neurotoxic endpoints in published literature. The presence of any of the potential neurotoxicants in publicly available chemical compilations, regulatory lists, and guidelines worldwide is reported here solely to support future research on neurotoxicity of environmental chemicals. We do not claim responsibility for any errors or omission in compiled evidence supporting the neurotoxicity of chemicals in our resource, and hence, users are advised to exercise their own informed decision in using the compiled list of potential neurotoxicants in our resource. Further, this work on the compilation of a resource on potential neurotoxicants and their toxicological endpoints is solely based on our scientific understanding of the topic, and this does not necessarily reflect the views or policies of our employers or funders.