Paliclavine

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Paliclavine

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SMILES:C=C(C)C(O)C1C2=C3C(=CNC3=CC=C2)CC1NC

InChI:InChI=1S/C16H20N2O/c1-9(2)16(19)15-11-5-4-6-12-14(11)10(8-18-12)7-13(15)17-3/h4-6,8,13,15-19H,1,7H2,2-3H3

InChI key:RYJKMWDFKMAASW-UHFFFAOYSA-N

Synonyms:
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
Alkyl-OH-glucuronidation BTMR0165
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C22H28...

Sulfation of secondary alcohol BTMR0502
Enzymes: 2.8.2.2
Reagents

Metabolite: InChI=1S/C16H20...

Oxidation of secondary alcohol to ketone BTMR0079
Reagents

Metabolite: InChI=1S/C16H18...

Epoxidation of alkene BTMR0109
Reagents

Metabolite: InChI=1S/C16H20...

N-Dealkylation of acyclic secondary amine BTMR1140
Reagents

Metabolite: InChI=1S/C15H15...

N-Dealkylation of acyclic secondary amine BTMR1140
Reagents
isomerdesign

Methylamine

pubchem

Methylamine

drugmap

[14C]methylamine

N-Dealkylation of acyclic secondary amine BTMR1140
Reagents

Metabolite: InChI=1S/C15H18...