Substrate
/
Generation 1
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
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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
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Select a metabolite to form the next generation.
dealkylation
Probability 0.22
0.22
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(11c)acetic acid
dealkylation
Probability 0.22
0.22
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An oxidized polyvinyl alcohol
dealkylation
Probability 0.22
0.22
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A polyvinyl alcohol
dealkylation
Probability 0.22
0.22
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dealkylation
Probability 0.19
0.19
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Formaldehyde
Showing 5 of 140 metabolites
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