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
Pyridine N-oxidation BTMR0096
Reagents

Metabolite: InChI=1S/C28H38...

Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C28H38...

Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C28H38...

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

Metabolite: InChI=1S/C26H34...

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

Metabolite: InChI=1S/C26H32...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzymes: CYP1A2
Reagents

Metabolite: InChI=1S/C28H38...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzymes: CYP1A2
Reagents

Metabolite: InChI=1S/C28H38...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzymes: CYP1A2
Reagents

Metabolite: InChI=1S/C28H38...

Aromatic hydroxylation of fused benzene ring BTMR1031
Reagents

Metabolite: InChI=1S/C28H38...

Aromatic hydroxylation of fused benzene ring BTMR1031
Reagents

Metabolite: InChI=1S/C28H38...

Hydroxylation of terminal methyl BTMR1061
Reagents

Metabolite: InChI=1S/C28H38...

N-Dealkylation of acyclic secondary amine BTMR1140
Reagents

Metabolite: InChI=1S/C12H14...

N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
Reagents

Metabolite: InChI=1S/C12H17...

N-Dealkylation of acyclic secondary amine BTMR1140
Hydroxylation of alicyclic secondary carbon BTMR1067
Enzymes: CYP2B6 CYP2C9 CYP3A4
Reagents

Metabolite: InChI=1S/C28H38...

Hydroxylation of alicyclic secondary carbon BTMR1067
Enzymes: CYP2B6 CYP2C9 CYP3A4
Reagents

Metabolite: InChI=1S/C28H38...