8-Quinolinolium 7'-bromo-3'-hydroxy-2'-naphthoate, copper (II) chelate

8-Quinolinolium 7'-bromo-3'-hydroxy-2'-naphthoate, copper (II) chelate



Predicted Absorption properties
PropertyToolInterpretationProbability/Value
Caco-2 permeabilityadmetSARNo-
pkCSMLow0.403 cm/s
Human Intestinal AbsorptionadmetSARYes-
pkCSMHigh100 %
SwissADMELow-
Human Oral BioavailabilityadmetSARNo-
Log Kp (Skin permeation)pkCSMHigh-2.735 cm/h
SwissADME--3.33 cm/s
Predicted Distribution properties
PropertyToolInterpretationProbability/Value
P-glycoprotein substrateadmetSARNo-
pkCSMNo-
SwissADMEYes-
vNNNo Prediction-
P-glycoprotein inhibitoradmetSARYes-
vNNNo Prediction-
P-glycoprotein inhibitor IpkCSMYes-
P-glycoprotein inhibitor IIpkCSMYes-
Blood Brain BarrieradmetSARYes-
pkCSMNo-1.651 logBB
SwissADMENo-
vNNNo Prediction-
CNS permeabilitypkCSMModerate-2.538 logPS
Fraction unbound in humanpkCSM-0.37
Plasma protein bindingadmetSARModerate0.735
Subcellular localizationadmetSARLysosomes-
Steady state volume of distribution (VDss)pkCSMLow-0.553 L/Kg
Predicted Metabolism properties
PropertyToolInterpretationProbability/Value
CYP1A2 inhibitoradmetSARYes
pkCSMNo-
SwissADMENo-
vNNNo-
CYP2C19 inhibitoradmetSARNo-
pkCSMNo-
SwissADMENo-
vNNNo-
CYP2C9 inhibitoradmetSARNo-
pkCSMNo-
SwissADMENo-
vNNNo-
CYP2C9 substrateadmetSARNo-
CYP2D6 inhibitoradmetSARNo-
pkCSMNo-
SwissADMENo-
vNNNo-
CYP2D6 substrateadmetSARNo-
pkCSMNo-
CYP3A4 inhibitoradmetSARNo-
pkCSMNo-
SwissADMENo-
vNNNo-
CYP3A4 substrateadmetSARYes-
pkCSMYes-
CYP inhibitory promiscuityadmetSARNo-
Human Liver Microsomal (HLM) stability assayvNNNo Prediction-
OATP2B1 inhibitoradmetSARYes-
OATP1B1 inhibitoradmetSARYes-
OATP1B3 inhibitoradmetSARYes-
MATE1 inhibitoradmetSAR0.94-
BSEP inhibitoradmetSARYes-
UGT catalysisadmetSARNo-
Predicted Excretion properties
PropertyToolInterpretationProbability/Value
Renal OCT2 inhibitoradmetSARNo-
Renal OCT2 substratepkCSMNo-
Total clearancepkCSM--0.968 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.