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
N-Glucuronidation of tertiary aliphatic amine BTMR0244
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C23H28...

N-Dealkylation of mixed tertiary amine BTMR1145
Reagents

Metabolite: InChI=1S/C5H11N...

N-Dealkylation of mixed tertiary amine BTMR1145
S-Oxidation of diarylthioether to sulfoxide BTMR0059
Reagents

Metabolite: InChI=1S/C17H20...

Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C17H20...

Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C17H20...

N-Oxidation of aliphatic tertiary amine BTMR1100
Enzymes: CYP1A2 CYP2D6 CYP3A4
Reagents

Metabolite: InChI=1S/C17H20...

Hydroxylation of terminal methyl BTMR1061
Reagents

Metabolite: InChI=1S/C17H20...

Terminal desaturation BTMR1190
Reagents

Metabolite: InChI=1S/C17H18...

N-Dealkylation of acyclic tertiary amine BTMR1142
Reagents

Metabolite: InChI=1S/C15H13...

N-Dealkylation of acyclic tertiary amine BTMR1142
N-Dealkylation of acyclic tertiary amine BTMR1142
Reagents

Metabolite: InChI=1S/C16H18...

Aliphatic hydroxylation of carbon alpha to secondary or tertiary alkyl-N BTMR1081
Reagents

Metabolite: InChI=1S/C17H20...

Aliphatic hydroxylation of carbon alpha to secondary or tertiary alkyl-N BTMR1081
Reagents

Metabolite: InChI=1S/C17H20...