Diethylstilbestrol

Diethylstilbestrol



Predicted Absorption properties
PropertyToolInterpretationProbability/Value
Caco-2 permeabilityadmetSARYes-
pkCSMHigh1.782 cm/s
Human Intestinal AbsorptionadmetSARYes-
pkCSMHigh92.878 %
SwissADMEHigh-
Human Oral BioavailabilityadmetSARYes-
Log Kp (Skin permeation)pkCSMHigh-2.749 cm/h
SwissADME--4.34 cm/s
Predicted Distribution properties
PropertyToolInterpretationProbability/Value
P-glycoprotein substrateadmetSARNo-
pkCSMYes-
SwissADMENo-
vNNNo Prediction-
P-glycoprotein inhibitoradmetSARNo-
vNNNo Prediction-
P-glycoprotein inhibitor IpkCSMNo-
P-glycoprotein inhibitor IIpkCSMNo-
Blood Brain BarrieradmetSARNo-
pkCSMModerate-0.167 logBB
SwissADMEYes-
vNNNo Prediction-
CNS permeabilitypkCSMYes-1.631 logPS
Fraction unbound in humanpkCSM-0.046
Plasma protein bindingadmetSARModerate0.668
Subcellular localizationadmetSARMitochondria-
Steady state volume of distribution (VDss)pkCSMModerate0.44 L/Kg
Predicted Metabolism properties
PropertyToolInterpretationProbability/Value
CYP1A2 inhibitoradmetSARYes
pkCSMYes-
SwissADMEYes-
vNNNo-
CYP2C19 inhibitoradmetSARYes-
pkCSMYes-
SwissADMEYes-
vNNYes-
CYP2C9 inhibitoradmetSARYes-
pkCSMYes-
SwissADMEYes-
vNNYes-
CYP2C9 substrateadmetSARNo-
CYP2D6 inhibitoradmetSARNo-
pkCSMNo-
SwissADMEYes-
vNNNo-
CYP2D6 substrateadmetSARYes-
pkCSMNo-
CYP3A4 inhibitoradmetSARYes-
pkCSMYes-
SwissADMEYes-
vNNNo-
CYP3A4 substrateadmetSARNo-
pkCSMYes-
CYP inhibitory promiscuityadmetSARYes-
Human Liver Microsomal (HLM) stability assayvNNNo Prediction-
OATP2B1 inhibitoradmetSARYes-
OATP1B1 inhibitoradmetSARYes-
OATP1B3 inhibitoradmetSARNo-
MATE1 inhibitoradmetSAR0.98-
BSEP inhibitoradmetSARYes-
UGT catalysisadmetSARYes-
Predicted Excretion properties
PropertyToolInterpretationProbability/Value
Renal OCT2 inhibitoradmetSARNo-
Renal OCT2 substratepkCSMNo-
Total clearancepkCSM-0.164 ml/min/kg
Download

DISCLAIMER

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.