Substrate
/
Generation 1
XenoSite
Alectinib cation
CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.[H+]
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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CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3c(c1C2=O)C=CC1(C#N)OC31
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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 2
Select a metabolite to form the next generation.
epoxidation
Probability 0.13
0.13
hydroxylation
Probability 0.13
0.13
hydroxylation
Probability 0.13
0.13
dehydration
Probability 0.13
0.13
dehydration
Probability 0.13
0.13
15o
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