Perspectivas avanzadas

En lo siguiente, proporcionamos un análisis más avanzado sobre las interacciones de una molécula con el metabolismo humano, sitios de acoplamiento, etc.

Interacción de esta molécula con el metabolismo

Utilizamos un modelo de Aprendizaje Profundo para predecir las interacciones de esta molécula con el metabolismo. Consulta la fuente para entender la metodología.

Reacciones que metabolizan esta molécula
Nitroreduction of nitroarene to hydroxylamine BTMR1222
Enzimas: 1.6.2.4
Reagents

Metabolite: InChI=1S/C18H21...

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

Metabolite: InChI=1S/C18H21...

N-Glucuronidation of tertiary aliphatic amine BTMR0244
Enzimas: 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
Enzimas: 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
Enzimas: Bacterial oxygen-insensitive NADPH nitroreductase
Reagents

Metabolite: InChI=1S/C18H19...