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
Reduction of sulfoxide to thioether BTMR0152
Enzimas: 1.2.3.1
Reagents

Metabolite: InChI=1S/C22H29...

Pyridine N-oxidation BTMR0096
Reagents

Metabolite: InChI=1S/C22H29...

Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring BTMR1077
Reagents

Metabolite: InChI=1S/C22H29...

Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring BTMR1077
Reagents

Metabolite: InChI=1S/C22H29...

O-Dealkylation BTMR0052
Reagents

Metabolite: InChI=1S/C11H16...

O-Dealkylation BTMR0052
Reagents

Metabolite: InChI=1S/C11H13...

N-Oxidation of alicyclic tertiary amine BTMR1099
Reagents

Metabolite: InChI=1S/C22H29...

N-Dealkylation of alicyclic tertiary amine BTMR1144
Reagents
N-Dealkylation of alicyclic tertiary amine BTMR1144
Reagents

Metabolite: InChI=1S/C17H18...

Hydroxylation of heteroalicyclic secondary carbon BTMR1070
Reagents

Metabolite: InChI=1S/C22H29...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C22H29...

Epoxidation of alkene BTMR0109
Reagents

Metabolite: InChI=1S/C22H29...

S-Oxidation of sulfoxide to sulfone BTMR0060
Enzimas: CYP2C9 CYP3A4
Reagents

Metabolite: InChI=1S/C22H29...

Formation of imminium ion from N-substituted piperidine BTMR1187
Enzimas: CYP2C19 CYP3A4
Reagents

Metabolite: InChI=1S/C22H27...

Ring opening of N-substituted piperidine BTMR1188
Enzimas: CYP3A4
Reagents

Metabolite: InChI=1S/C22H29...