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
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Reagents

Metabolite: InChI=1S/C21H20...

Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C23H24...

O-Dealkylation BTMR0052
Reagents

Metabolite: InChI=1S/C22H22...

Aliphatic hydroxylation of methyl carbon adjacent to aromatic ring BTMR1058
Reagents

Metabolite: InChI=1S/C23H24...

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

Metabolite: InChI=1S/C23H24...

Hydroxylation of heteroalicyclic secondary carbon BTMR1070
Reagents

Metabolite: InChI=1S/C23H24...

Hydroxylation of heteroalicyclic secondary carbon BTMR1070
Reagents

Metabolite: InChI=1S/C23H24...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzymes: CYP1A2
Reagents

Metabolite: InChI=1S/C23H24...

Aromatic hydroxylation of fused benzene ring BTMR1031
Reagents

Metabolite: InChI=1S/C23H24...

Hydroxylation of terminal methyl BTMR1061
Reagents

Metabolite: InChI=1S/C23H24...