Substrate
/
Generation 1
/
Generation 2
XenoSite
Astemizole
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
CHEBI
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Description
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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 1
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Desmethylastemizole
Oc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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Oc1ccc(CCN2CCC(Nc3nc4c(n3Cc3ccc(F)cc3)=CC3OC3C=4)CC2)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.88
0.88
dealkylation
Probability 0.88
0.88
(<em>p</em>-hydroxyphenyl)acetic acid
dealkylation
Probability 0.88
0.88
P-hydroxyphenylacetaldehyde
dealkylation
Probability 0.88
0.88
Tyrosol
dealkylation
Probability 0.56
0.56
Showing 5 of 19 metabolites
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