Substrate
/
Generation 1
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
Select a metabolite to form the next generation.
epoxidation
Probability 0.25
0.25
epoxidation
Probability 0.10
0.10
epoxidation
Probability 0.05
0.05
epoxidation
Probability 0.04
0.04
epoxidation
Probability 0.03
0.03
Showing 5 of 13 metabolites
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