Doxpicomine

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Doxpicomine

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SMILES:CN(C)C(C1=CN=CC=C1)C1COCOC1

InChI:InChI=1S/C12H18N2O2/c1-14(2)12(10-4-3-5-13-6-10)11-7-15-9-16-8-11/h3-6,11-12H,7-9H2,1-2H3

InChI key:SMZVRZPJXBGNFT-UHFFFAOYSA-N

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
N-Glucuronidation of 3-substituted pyridine BTMR0173
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C18H26...

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

Metabolite: InChI=1S/C18H26...

Pyridine N-oxidation BTMR0096
Reagents

Metabolite: InChI=1S/C12H18...

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

Metabolite: InChI=1S/C12H18...

N-Dealkylation of acyclic tertiary amine BTMR1142
Reagents

Metabolite: InChI=1S/C11H16...

N-Dealkylation of acyclic tertiary amine BTMR1142
Reagents
pubchem

Dimethylamine

N-Dealkylation of acyclic tertiary amine BTMR1142
Reagents

Metabolite: InChI=1S/C10H11...

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

Metabolite: InChI=1S/C12H18...