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
Dehydrogenation of secondary alcohol BTMR0031
Enzimas: 1.1.1.1
Reagents

Metabolite: InChI=1S/C20H21...

Alkyl-OH-glucuronidation BTMR0165
Enzimas: 2.4.1.17
Reagents

Metabolite: InChI=1S/C26H31...

Sulfation of secondary alcohol BTMR0502
Enzimas: 2.8.2.2
Reagents

Metabolite: InChI=1S/C20H23...

O-Dealkylation BTMR0052
N-Oxidation of alicyclic tertiary amine BTMR1099
Reagents

Metabolite: InChI=1S/C20H23...

N-Dealkylation of alicyclic tertiary amine BTMR1144
N-Dealkylation of alicyclic tertiary amine BTMR1144
Hydroxylation of heteroalicyclic secondary carbon BTMR1070
Reagents

Metabolite: InChI=1S/C20H23...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C20H23...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C20H23...

Epoxidation of alkene BTMR0109
Reagents

Metabolite: InChI=1S/C20H23...

Epoxidation of alkene BTMR0110
Reagents

Metabolite: InChI=1S/C20H23...

Hydroxylation of alicyclic tertiary carbon BTMR1243
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C20H23...

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

Metabolite: InChI=1S/C20H23...

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

Metabolite: InChI=1S/C20H23...

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

Metabolite: InChI=1S/C20H23...

Reacciones que el metabolismo produce a partir de esta molécula