Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Monoacetyldapsone
CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Loading…
Generation 1
Show metabolites
CC(=O)NC12C=CC(S(=O)(=O)c3ccc(N)cc3)=CC1O2
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Loading…
Generation 2
Show metabolites
CC(=O)NC12C=CC(S(=O)(=O)C3=CC=C(N)C(=O)C3=O)=CC1O2
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Loading…
Generation 3
Show metabolites
NC1=CC=C(S(=O)(=O)C2=CC3OC3(O)C=C2)C(=O)C1=O
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Loading…
Generation 4
Select a metabolite to form the next generation.
epoxidation
Probability 0.21
0.21
Loading…
epoxidation
Probability 0.12
0.12
Loading…
epoxidation
Probability 0.06
0.06
Loading…
epoxidation
Probability 0.05
0.05
Loading…