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/C25H29...

O-Hydroxylation of monosubstituted benzene BTMR1034
Reagents

Metabolite: InChI=1S/C19H21...

Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring BTMR1077
Reagents

Metabolite: InChI=1S/C19H21...

Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C19H21...

Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C19H21...

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

Metabolite: InChI=1S/C19H21...

Hydroxylation of benzene on carbon para to electron donating group BTMR1047
Reagents

Metabolite: InChI=1S/C19H21...

Aromatic hydroxylation of fused benzene ring BTMR1031
Reagents

Metabolite: InChI=1S/C19H21...

Aromatic hydroxylation of fused benzene ring BTMR1031
Reagents

Metabolite: InChI=1S/C19H21...

N-Dealkylation of acyclic tertiary amine BTMR1142
Reagents

Metabolite: InChI=1S/C18H19...

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

Metabolite: InChI=1S/C17H14...

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

Metabolite: InChI=1S/C19H21...