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Transformation Checker

SMILES

Database:

Property:

[Basic] LogD7.4

[Basic] LogD7.4

[Basic] LogP

[Basic] LogS

[Absorption] Caco-2

[Absorption] Pgp-inhibitor

[Absorption] Pgp-substrate

[Absorption] F (30%)

[Distribution] PPB

[Distribution] BBB

[Distribution] vdss

[Metabolism] CYP 1A2-inhibitor

[Metabolism] CYP 2C19-inhibitor

[Metabolism] CYP 2C9-inhibitor

[Metabolism] CYP 2D6-inhibitor

[Metabolism] CYP 2d6-substrate

[Metabolism] CYP 3A4-inhibitor

[Excretion] T_1/2

[Toxicity] Ames

[Toxicity] BCF

[Toxicity] DILI

[Toxicity] EC

[Toxicity] EI

[Toxicity] FDAMDD

[Toxicity] H-HT-2

[Toxicity] hERG

[Toxicity] IGC50

[Toxicity] NR-AhR

[Toxicity] NR-AR

[Toxicity] NR-AR-LBD

[Toxicity] Respiratory

[Toxicity] SR-ARE

[Toxicity] SR-MMP

None

None

[Basic] LogD7.4

[Basic] LogP

[Basic] LogS

[Absorption] Caco-2

[Absorption] Pgp-inhibitor

[Absorption] Pgp-substrate

[Absorption] F (30%)

[Distribution] PPB

[Distribution] BBB

[Distribution] vdss

[Metabolism] CYP 1A2-inhibitor

[Metabolism] CYP 2C19-inhibitor

[Metabolism] CYP 2C9-inhibitor

[Metabolism] CYP 2D6-inhibitor

[Metabolism] CYP 2d6-substrate

[Metabolism] CYP 3A4-inhibitor

[Excretion] T_1/2

[Toxicity] Ames

[Toxicity] BCF

[Toxicity] DILI

[Toxicity] EC

[Toxicity] EI

[Toxicity] FDAMDD

[Toxicity] H-HT-2

[Toxicity] hERG

[Toxicity] IGC50

[Toxicity] NR-AhR

[Toxicity] NR-AR

[Toxicity] NR-AR-LBD

[Toxicity] Respiratory

[Toxicity] SR-ARE

[Toxicity] SR-MMP

Tip

Before submitting, users should prepare a valid SMILES in case of errors.

Database:

Property:

[Basic] LogD7.4

[Basic] LogD7.4

[Basic] LogP

[Basic] LogS

[Absorption] Caco-2

[Absorption] Pgp-inhibitor

[Absorption] Pgp-substrate

[Absorption] F (30%)

[Distribution] PPB

[Distribution] BBB

[Distribution] vdss

[Metabolism] CYP 1A2-inhibitor

[Metabolism] CYP 2C19-inhibitor

[Metabolism] CYP 2C9-inhibitor

[Metabolism] CYP 2D6-inhibitor

[Metabolism] CYP 2d6-substrate

[Metabolism] CYP 3A4-inhibitor

[Excretion] T_1/2

[Toxicity] Ames

[Toxicity] BCF

[Toxicity] DILI

[Toxicity] EC

[Toxicity] EI

[Toxicity] FDAMDD

[Toxicity] H-HT-2

[Toxicity] hERG

[Toxicity] IGC50

[Toxicity] NR-AhR

[Toxicity] NR-AR

[Toxicity] NR-AR-LBD

[Toxicity] Respiratory

[Toxicity] SR-ARE

[Toxicity] SR-MMP

None

None

[Basic] LogD7.4

[Basic] LogP

[Basic] LogS

[Absorption] Caco-2

[Absorption] Pgp-inhibitor

[Absorption] Pgp-substrate

[Absorption] F (30%)

[Distribution] PPB

[Distribution] BBB

[Distribution] vdss

[Metabolism] CYP 1A2-inhibitor

[Metabolism] CYP 2C19-inhibitor

[Metabolism] CYP 2C9-inhibitor

[Metabolism] CYP 2D6-inhibitor

[Metabolism] CYP 2d6-substrate

[Metabolism] CYP 3A4-inhibitor

[Excretion] T_1/2

[Toxicity] Ames

[Toxicity] BCF

[Toxicity] DILI

[Toxicity] EC

[Toxicity] EI

[Toxicity] FDAMDD

[Toxicity] H-HT-2

[Toxicity] hERG

[Toxicity] IGC50

[Toxicity] NR-AhR

[Toxicity] NR-AR

[Toxicity] NR-AR-LBD

[Toxicity] Respiratory

[Toxicity] SR-ARE

[Toxicity] SR-MMP

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About OptADMET

OptADMET is the integrated chemical transformation rule platform covering 32 important ADMET properties, which provides multiple-property rules and lead optimization direction. It is believed that this webserver promises to be a powerful approach to aid multidimensional optimization.

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