Substrate
/
Generation 1
/
Generation 2
XenoSite
Aripiprazole
O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1
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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O=C1CCc2ccc(OCCCCN3CCN(C4=CC5OC5C(Cl)=C4Cl)CC3)cc2N1
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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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O=C(O)CCCN1CCN(C2=CC3OC3C(Cl)=C2Cl)CC1
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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 0.46
0.46
dna
Probability 0.42
0.42
glutathionation
Probability 0.41
0.41
glutathionation
Probability 0.37
0.37
protein
Probability 0.25
0.25
Showing 5 of 16 metabolites
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