Substrate
/
Generation 1
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Generation 2
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Generation 3
XenoSite
Arverapamil
COc1ccc(CCNCCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
COc1ccc(CCNCCCC(C#N)(C2=CC(=O)C(=O)C=C2)C(C)C)cc1OC
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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
Show metabolites
COc1cc(CCNCCCC(C#N)(C2=CC(=O)C(=O)C=C2)C(C)C)ccc1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
Homovanillin
COc1cc(CC=O)ccc1O
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.59
0.59
protein
Probability 0.52
0.52
dna
Probability 0.21
0.21
cyanide
Probability 0.06
0.06