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(Nc3nc4ccccc4n3CC3=CC4OC4(F)C=C3)CC2)cc1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
COc1ccc(CCNCCC(CC(=O)O)Nc2nc3ccccc3n2CC2=CC3OC3(F)C=C2)cc1
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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.
glutathionation
Probability 0.32
0.32
dna
Probability 0.24
0.24
dna
Probability 0.24
0.24
dna
Probability 0.16
0.16
glutathionation
Probability 0.14
0.14
Showing 5 of 12 metabolites
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