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  • Adme - Preadmet Prediction of Admetox

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    Khalisha Qintara
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    This document contains predictions for various ADME/Tox properties of a compound. It predicts the compound will have low blood-brain barrier penetration, moderate intestinal absorption and permeability, and will likely be a substrate and inhibitor of CYP3A4 and an inhibitor of CYP2C9. It is also predicted to be a P-glycoprotein inhibitor, have high plasma protein binding, and low skin permeability.

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    Adme – Preadmet Prediction of Admetox

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    This document contains predictions for various ADME/Tox properties of a compound. It predicts the compound will have low blood-brain barrier penetration, moderate intestinal absorption and permeability, and will likely be a substrate and inhibitor of CYP3A4 and an inhibitor of CYP2C9. It is also predicted to be a P-glycoprotein inhibitor, have high plasma protein binding, and low skin permeability.

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    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
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    19 views1 page

    Adme - Preadmet Prediction of Admetox

    Uploaded by

    Khalisha Qintara
    This document contains predictions for various ADME/Tox properties of a compound. It predicts the compound will have low blood-brain barrier penetration, moderate intestinal absorption and permeability, and will likely be a substrate and inhibitor of CYP3A4 and an inhibitor of CYP2C9. It is also predicted to be a P-glycoprotein inhibitor, have high plasma protein binding, and low skin permeability.

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    © All Rights Reserved
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    ADME – PreADMET | Prediction of ADME/Tox

    ID Value
    BBB 0.487071
    Buffer_solubility_mg_L 22.116
    Caco2 20.6118
    CYP_2C19_inhibition Non
    CYP_2C9_inhibition Inhibitor
    CYP_2D6_inhibition Non
    CYP_2D6_substrate Non
    CYP_3A4_inhibition Inhibitor
    CYP_3A4_substrate Substrate
    HIA 92.673309
    MDCK 65.5103
    Pgp_inhibition Inhibitor
    Plasma_Protein_Binding 100.000000
    Pure_water_solubility_mg_L 76.8913
    Skin_Permeability -2.36549
    SKlogD_value 3.046050
    SKlogP_value 3.046050
    SKlogS_buffer -4.179630
    SKlogS_pure -3.638460

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