Substrate
/
Generation 1
/
Generation 2
XenoSite
Acebutolol
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1
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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CCCC(=O)N=C1C=CC(=O)C(C(C)=O)=C1
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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 2
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CCCC(=O)N=C1C=CC(=O)C(C(C)O)=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
dna
Probability 0.49
0.49
protein
Probability 0.42
0.42
protein
Probability 0.36
0.36
glutathionation
Probability 0.34
0.34
glutathionation
Probability 0.25
0.25
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