Substrate
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Generation 1
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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
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Generation 1
Show metabolites
Tecastemizole
Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
Show metabolites
Piperidine
C1CCNCC1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Select a metabolite to form the next generation.
hydroxylation
Probability 0.29
0.29
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hydroxylation
Probability 0.22
0.22
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dealkylation
Probability 0.21
0.21
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Danva
dealkylation
Probability 0.21
0.21
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5-amino-pentanal
dealkylation
Probability 0.21
0.21
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Showing 5 of 16 metabolites
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