Chlornaltrexamine

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Chlornaltrexamine

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SMILES:OC1=C2OC3C(N(CCCl)CCCl)CCC4(O)C5CC(=C2C34CCN5CC2CC2)C=C1

InChI:InChI=1S/C24H32Cl2N2O3/c25-8-11-27(12-9-26)17-5-6-24(30)19-13-16-3-4-18(29)21-20(16)23(24,22(17)31-21)7-10-28(19)14-15-1-2-15/h3-4,15,17,19,22,29-30H,1-2,5-14H2

InChI key:OSLQQDMGHVQLCH-UHFFFAOYSA-N

Sinónimos: α-Chlornaltrexamine
Categorías (no exhaustivas):

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
Aromatic OH-glucuronidation BTMR0166
Enzimas: 2.4.1.17
Reagents

Metabolite: InChI=1S/C30H40...

N-Glucuronidation of tertiary aliphatic amine BTMR0244
Enzimas: 2.4.1.17
Reagents

Metabolite: InChI=1S/C30H40...

GSH-conjugation of organohalide BTMR0224
Enzimas: 2.5.1.18
Reagents

Metabolite: InChI=1S/C34H48...

Sulfonation of phenolic compound BTMR1376
Enzimas: 2.8.2.1
Reagents

Metabolite: InChI=1S/C24H32...

Methylation of phenolic compound BTMR1377
Enzimas: 2.1.1.25
Reagents

Metabolite: InChI=1S/C25H34...

Hydroxylation of alicyclic secondary carbon BTMR1068
Reagents

Metabolite: InChI=1S/C24H32...

Hydroxylation of alicyclic secondary carbon BTMR1068
Reagents

Metabolite: InChI=1S/C24H32...

N-Oxidation of alicyclic tertiary amine BTMR1099
Reagents

Metabolite: InChI=1S/C24H32...

N-Dealkylation of alicyclic tertiary amine BTMR1144
Reagents

InChI=1S/C4H6O/c5-3-...

N-Dealkylation of alicyclic tertiary amine BTMR1144
Reagents

Metabolite: InChI=1S/C20H26...

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

Metabolite: InChI=1S/C24H32...

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

Metabolite: InChI=1S/C24H32...

Hydroxylation of heteroalicyclic secondary carbon BTMR1070
Reagents

Metabolite: InChI=1S/C24H32...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C24H32...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C24H32...

N-Dealkylation of acyclic tertiary amine BTMR1142
Reagents
isomerdesign

17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5α-epoxymorphinan-6-one

pubchem

Naltrexone

drugmap

Naltrexone

wiki

Naltrexone

N-Dealkylation of acyclic tertiary amine BTMR1142
Reagents

InChI=1S/C4H9Cl2N/c5...

N-Dealkylation of acyclic tertiary amine BTMR1142
Reagents

Metabolite: InChI=1S/C22H29...

N-Dealkylation of acyclic tertiary amine BTMR1142
Reagents
pubchem

Chloroacetaldehyde

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

Metabolite: InChI=1S/C24H32...

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

Metabolite: InChI=1S/C24H32...

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

Metabolite: InChI=1S/C24H32...

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

Metabolite: InChI=1S/C24H32...

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

Metabolite: InChI=1S/C24H32...

Hydroxylation of alicyclic secondary carbon BTMR1065
Enzimas: CYP2B6
Reagents

Metabolite: InChI=1S/C24H32...

Hydroxylation of alicyclic secondary carbon BTMR1065
Enzimas: CYP2B6
Reagents

Metabolite: InChI=1S/C24H32...

Hydroxylation of carbon adjacent to halogen BTMR1079
Enzimas: CYP2E1
Reagents

Metabolite: InChI=1S/C24H32...