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(CCNCCC(CC(=O)O)Nc2nc3ccccc3n2Cc2ccc(F)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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COc1ccc(CCNCCC(CC(=O)O)Nc2nc3c(n2Cc2ccc(F)cc2)C2OC2C=C3)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 0.55
0.55
dna
Probability 0.47
0.47
glutathionation
Probability 0.36
0.36
dna
Probability 0.29
0.29
protein
Probability 0.11
0.11
Showing 5 of 12 metabolites
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