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
Generation 1
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COc1ccc(CCN2CCC(Nc3nc4c(n3Cc3ccc(F)cc3)C=CC3OC43)CC2)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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Fc1ccc(Cn2c(NC3CCNCC3)nc3c2C=CC2OC32)cc1
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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 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.21
0.21
dealkylation
Probability 0.21
0.21
dealkylation
Probability 0.21
0.21
dealkylation
Probability 0.17
0.17
dealkylation
Probability 0.17
0.17
4-fluorobenzoic acid
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