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)NC1=CC2(C(C)=O)OC2(OCC(O)CNC(C)C)C=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)NC1=CC2(C(C)=O)OC2(OCC(O)C=O)C=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.
protein
Probability 0.43
0.43
glutathionation
Probability 0.34
0.34
dna
Probability 0.23
0.23
glutathionation
Probability 0.14
0.14
dna
Probability 0.14
0.14
Showing 5 of 12 metabolites
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