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
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Generation 1
Show metabolites
COc1ccc(CC=O)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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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 2
Show metabolites
P-hydroxyphenylacetaldehyde
O=CCc1ccc(O)cc1
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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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.
hydrogenation
Probability 0.60
0.60
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Tyrosol
hydroxylation
Probability 0.14
0.14
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dealkylation
Probability 0.08
0.08
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Paracresol
dealkylation
Probability 0.08
0.08
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<small><sup>13</small></sup>co2
dealkylation
Probability 0.08
0.08
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Formic acid
Showing 5 of 37 metabolites
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