Substrate
/
Generation 1
/
Generation 2
/
Generation 3
XenoSite
Arenamide a
CCCCCCC(C)C1CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)O1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
CCCCCCC(C)C(O)CC(=O)NCC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C=O)Cc1ccccc1)C(C)C
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CCCCCCC(C)C(O)CC(=O)NCC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C=O)CC1=CC(=O)C=CC1=O)C(C)C
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CC(C)CC(NC(=O)C(NC(=O)C=O)C(C)C)C(=O)NC(C)C(=O)NC(C=O)CC1=CC(=O)C=CC1=O
Copy JSON
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 0.32
0.32
protein
Probability 0.27
0.27
protein
Probability 0.27
0.27
glutathionation
Probability 0.23
0.23
protein
Probability 0.22
0.22
Showing 5 of 20 metabolites
Show all