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
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Hydroxylation of antepenultimate aliphatic secondary carbon BTMR1072
Enzimas: CYP1A2 CYP2E1
Reagents

Metabolite: InChI=1S/C31H41...

N-Oxidation of alicyclic tertiary amine BTMR1099
Reagents

Metabolite: InChI=1S/C31H41...

N-Dealkylation of alicyclic tertiary amine BTMR1144
Reagents

Metabolite: InChI=1S/C21H32...

N-Dealkylation of alicyclic tertiary amine BTMR1144
Hydroxylation of penultimate aliphatic secondary carbon BTMR1074
Reagents

Metabolite: InChI=1S/C31H41...

Hydroxylation of heteroalicyclic secondary carbon BTMR1070
Reagents

Metabolite: InChI=1S/C31H41...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C31H41...

Hydroxylation of terminal methyl BTMR1061
Reagents

Metabolite: InChI=1S/C31H41...

Terminal desaturation BTMR1190
Reagents

Metabolite: InChI=1S/C31H39...

Hydroxylation of aromatic carbon ortho to halide group BTMR1040
Reagents

Metabolite: InChI=1S/C31H41...

Hydroxylation of aromatic carbon ortho to halide group BTMR1040
Reagents

Metabolite: InChI=1S/C31H41...

alpha-Hydroxylation of carbonyl group BTMR1054
Reagents

Metabolite: InChI=1S/C31H41...

Hydroxylation of aromatic carbon meta to halide group BTMR1039
Reagents

Metabolite: InChI=1S/C31H41...

Hydroxylation of aromatic carbon meta to halide group BTMR1039
Reagents

Metabolite: InChI=1S/C31H41...

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

Metabolite: InChI=1S/C31H41...

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

Metabolite: InChI=1S/C31H41...

Reduction of ketone to alcohol BTMR1171
Enzimas: CYP2C9
Reagents

Metabolite: InChI=1S/C31H43...

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

Metabolite: InChI=1S/C31H40...