Advanced insights

In the following we provide more advanced analysis about the interactions of a molecule with the human metabolism, docking sites etc.

Interaction of this molecule with metabolism

We use a Deep Learning model to predict the interactions of this molecule with metabolism. Refer to the source to understand the methodology.

Reactions that metabolize this molecule
GSH-conjugation of organohalide BTMR0224
Enzymes: 2.5.1.18
Reagents

Metabolite: InChI=1S/C31H42...

O-Dealkylation BTMR0052
Reagents
O-Dealkylation BTMR0052
Reagents

Metabolite: InChI=1S/C6H11F...

2-Hydroxylation of 1,4-disubstituted benzene BTMR0037
Enzymes: CYP1A2
Reagents

Metabolite: InChI=1S/C21H26...

2-Hydroxylation of 1,4-disubstituted benzene BTMR0037
Enzymes: CYP1A2
Reagents

Metabolite: InChI=1S/C21H26...

O-Dealkylation of dialkylether BTMR1129
Reagents

Metabolite: InChI=1S/C17H17...

O-Dealkylation of dialkylether BTMR1129
Reagents

Metabolite: InChI=1S/C4H9FO...

O-Dealkylation of dialkylether BTMR1129
Reagents

Metabolite: InChI=1S/C17H19...

O-Dealkylation of dialkylether BTMR1129
Reagents

Metabolite: InChI=1S/C4H7FO...

O-Dealkylation of dialkylether BTMR1129
Reagents

Metabolite: InChI=1S/C19H21...

O-Dealkylation of dialkylether BTMR1129
O-Dealkylation of dialkylether BTMR1129
Reagents

Metabolite: InChI=1S/C19H23...

O-Dealkylation of dialkylether BTMR1129
Epoxidation of alkene BTMR0109
Reagents

Metabolite: InChI=1S/C21H26...

N-Dealkylation of secondary arylalkylamine BTMR1141
Reagents

Metabolite: InChI=1S/C20H24...

Hydroxylation of carbon adjacent to halogen BTMR1079
Enzymes: CYP2E1
Reagents

Metabolite: InChI=1S/C21H26...