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(Nc3nc4ccccc4n3C=C3C=CC(=O)C=C3)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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COC12C=CC(CCN3CCC(Nc4nc5ccccc5n4C=C4C=CC(=O)C=C4)CC3)=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
protein
Probability 0.25
0.25
dna
Probability 0.21
0.21
dna
Probability 0.15
0.15
glutathionation
Probability 0.09
0.09
glutathionation
Probability 0.08
0.08
Showing 5 of 12 metabolites
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