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
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
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C28H38...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C28H38...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzimas: 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
Enzimas: CYP2B6 CYP2C9 CYP3A4
Reagents

Metabolite: InChI=1S/C28H38...

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

Metabolite: InChI=1S/C28H38...