Substrate
/
Generation 1
XenoSite
Astemizole
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
O=C1C=CC(=CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)C=C1
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
dehydration
Probability 0.46
0.46
dehydration
Probability 0.46
0.46
15o
hydrogenation
Probability 0.46
0.46
oxygen reduction
Probability 0.46
0.46
dealkylation
Probability 0.20
0.20
4-fluorobenzoic acid
Showing 5 of 120 metabolites
Show all