N-Ethyl-3-piperidylbenzilate hydrochloride

N-Ethyl-3-piperidylbenzilate hydrochloride



Predicted Absorption properties
PropertyToolInterpretationProbability/Value
Caco-2 permeabilityadmetSARYes-
pkCSMHigh1.194 cm/s
Human Intestinal AbsorptionadmetSARYes-
pkCSMHigh92.541 %
SwissADMEHigh-
Human Oral BioavailabilityadmetSARYes-
Log Kp (Skin permeation)pkCSMHigh-2.801 cm/h
SwissADME--5.47 cm/s
Predicted Distribution properties
PropertyToolInterpretationProbability/Value
P-glycoprotein substrateadmetSARNo-
pkCSMYes-
SwissADMEYes-
vNNYes-
P-glycoprotein inhibitoradmetSARNo-
vNNNo-
P-glycoprotein inhibitor IpkCSMYes-
P-glycoprotein inhibitor IIpkCSMYes-
Blood Brain BarrieradmetSARYes-
pkCSMYes0.316 logBB
SwissADMEYes-
vNNNo Prediction-
CNS permeabilitypkCSMModerate-2.3 logPS
Fraction unbound in humanpkCSM-0.048
Plasma protein bindingadmetSARModerate0.796
Subcellular localizationadmetSARMitochondria-
Steady state volume of distribution (VDss)pkCSMHigh1.09 L/Kg
Predicted Metabolism properties
PropertyToolInterpretationProbability/Value
CYP1A2 inhibitoradmetSARNo
pkCSMNo-
SwissADMENo-
vNNNo-
CYP2C19 inhibitoradmetSARNo-
pkCSMNo-
SwissADMENo-
vNNNo-
CYP2C9 inhibitoradmetSARNo-
pkCSMNo-
SwissADMENo-
vNNNo-
CYP2C9 substrateadmetSARNo-
CYP2D6 inhibitoradmetSARYes-
pkCSMYes-
SwissADMEYes-
vNNNo-
CYP2D6 substrateadmetSARYes-
pkCSMNo-
CYP3A4 inhibitoradmetSARNo-
pkCSMYes-
SwissADMENo-
vNNNo-
CYP3A4 substrateadmetSARNo-
pkCSMYes-
CYP inhibitory promiscuityadmetSARNo-
Human Liver Microsomal (HLM) stability assayvNNNo Prediction-
OATP2B1 inhibitoradmetSARNo-
OATP1B1 inhibitoradmetSARYes-
OATP1B3 inhibitoradmetSARYes-
MATE1 inhibitoradmetSAR0.92-
BSEP inhibitoradmetSARNo-
UGT catalysisadmetSARYes-
Predicted Excretion properties
PropertyToolInterpretationProbability/Value
Renal OCT2 inhibitoradmetSARYes-
Renal OCT2 substratepkCSMNo-
Total clearancepkCSM-0.987 ml/min/kg
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