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
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Generation 1
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O=C1C=CC(=CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)C=C1
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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
Select a metabolite to form the next generation.
hydrogenation
Probability 0.46
0.46
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dealkylation
Probability 0.20
0.20
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4-fluorobenzoic acid
dealkylation
Probability 0.20
0.20
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dealkylation
Probability 0.20
0.20
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dealkylation
Probability 0.19
0.19
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Tecastemizole
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