Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Astemizole
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
Show metabolites
COC12C=CC(CCN3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
Tecastemizole
Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Show metabolites
4-fluorobenzoic acid
O=C(O)c1ccc(F)cc1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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gsh
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protein
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cyanide
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dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.05
0.05
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protein
Probability 0.03
0.03
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dna
Probability 0.02
0.02
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cyanide
Probability 0.01
0.01
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