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
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Reagents

Metabolite: InChI=1S/C19H20...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C21H22...

Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C21H22...

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

Metabolite: InChI=1S/C21H22...

Hydroxylation of heteroalicyclic secondary carbon BTMR1070
Reagents

Metabolite: InChI=1S/C21H22...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C21H22...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C21H22...

Aromatic hydroxylation of fused benzene ring BTMR1031
Reagents

Metabolite: InChI=1S/C21H22...

Aromatic hydroxylation of fused benzene ring BTMR1032
Reagents

Metabolite: InChI=1S/C21H22...

alpha-Hydroxylation of carbonyl group BTMR1054
Reagents

Metabolite: InChI=1S/C21H22...

Hydroxylation of alicyclic tertiary carbon BTMR1243
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C21H22...

Hydroxylation of alicyclic tertiary carbon BTMR1243
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C21H22...

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

Metabolite: InChI=1S/C21H22...

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

Metabolite: InChI=1S/C21H22...

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

Metabolite: InChI=1S/C21H22...

Hydroxylation of alicyclic secondary carbon BTMR1069
Enzimas: CYP2D6
Reagents

Metabolite: InChI=1S/C21H22...

Hydroxylation of alicyclic secondary carbon BTMR1069
Enzimas: CYP2D6
Reagents

Metabolite: InChI=1S/C21H22...