Substrate
/
Generation 1
/
Generation 2
XenoSite
Apremilast
CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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CCOC12OC1C(C(CS(C)(=O)=O)N1C(=O)c3cccc(NC(C)=O)c3C1=O)=CC=C2OC
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CCOC12OC1C(C(CS(C)(=O)=O)n1c(=O)c3ccc(=O)c(=N)c=3c1=O)=CC=C2OC
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.37
0.37
dealkylation
Probability 0.21
0.21
(11c)acetic acid
dealkylation
Probability 0.21
0.21
An oxidized polyvinyl alcohol
dealkylation
Probability 0.21
0.21
A polyvinyl alcohol
dealkylation
Probability 0.21
0.21
Showing 5 of 124 metabolites
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