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

Synonyms: α-Chlornaltrexamine
Categories (non-exhaustive):

Advanced insights

In the following we provide more advanced analysis about the interactions of a molecule with the human metabolism, docking sites etc.

Interaction of this molecule with metabolism

We use a Deep Learning model to predict the interactions of this molecule with metabolism. Refer to the source to understand the methodology.

Reactions that metabolize this molecule
Aromatic OH-glucuronidation BTMR0166
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C30H40...

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

Metabolite: InChI=1S/C30H40...

GSH-conjugation of organohalide BTMR0224
Enzymes: 2.5.1.18
Reagents

Metabolite: InChI=1S/C34H48...

Sulfonation of phenolic compound BTMR1376
Enzymes: 2.8.2.1
Reagents

Metabolite: InChI=1S/C24H32...

Methylation of phenolic compound BTMR1377
Enzymes: 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
Enzymes: CYP1A2 CYP2D6 CYP3A4
Reagents

Metabolite: InChI=1S/C24H32...

N-Oxidation of aliphatic tertiary amine BTMR1100
Enzymes: 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
Enzymes: CYP1A2
Reagents

Metabolite: InChI=1S/C24H32...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzymes: 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
Enzymes: CYP2B6
Reagents

Metabolite: InChI=1S/C24H32...

Hydroxylation of alicyclic secondary carbon BTMR1065
Enzymes: CYP2B6
Reagents

Metabolite: InChI=1S/C24H32...

Hydroxylation of carbon adjacent to halogen BTMR1079
Enzymes: CYP2E1
Reagents

Metabolite: InChI=1S/C24H32...