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
Nitroreduction of nitroarene to hydroxylamine BTMR1222
Enzymes: 1.6.2.4
Reagents

Metabolite: InChI=1S/C18H21...

Hydrolysis of cyclic tertiary carboxamide BTMR0094
Enzymes: EC 3.5.2.X
Reagents

Metabolite: InChI=1S/C18H21...

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

Metabolite: InChI=1S/C24H27...

Hydroxylation of acyclic aliphatic secondary carbon BTMR1063
Reagents

Metabolite: InChI=1S/C18H19...

N-Dealkylation of tertiary carboxamide BTMR1139
N-Dealkylation of tertiary carboxamide BTMR1139
Reagents

Metabolite: InChI=1S/C13H8N...

Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C18H19...

Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C18H19...

Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C18H19...

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

Metabolite: InChI=1S/C18H19...

Aromatic hydroxylation of fused benzene ring BTMR1031
Reagents

Metabolite: InChI=1S/C18H19...

Aromatic hydroxylation of fused benzene ring BTMR1032
Reagents

Metabolite: InChI=1S/C18H19...

N-Dealkylation of acyclic tertiary amine BTMR1142
Reagents

Metabolite: InChI=1S/C17H17...

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

Metabolite: InChI=1S/C16H12...

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

Metabolite: InChI=1S/C18H19...

Nitroreduction of nitroarene to nitrosoarene BTMR1293
Enzymes: Bacterial oxygen-insensitive NADPH nitroreductase
Reagents

Metabolite: InChI=1S/C18H19...