XenoSite

Astemizole

CHEBI
Phase 1ReactivityEpoxidationQuinonationN-DealkylationUGT Conjugation
Astemizole Epoxidation prediction
COc1ccc(CCN2CCC(Nc3nc4c(n3Cc3ccc(F)cc3)=CC3OC3C=4)CC2)cc1 stable oxygenation prediction
COc1ccc(CCN2CCC(Nc3nc4c(n3Cc3ccc(F)cc3)=CC3OC3C=4)CC2)cc1 unstable oxygenation prediction
COc1ccc(CCN2CCC(Nc3nc4c(n3Cc3ccc(F)cc3)=CC3OC3C=4)CC2)cc1 dehydrogenation prediction
COc1ccc(CCN2CCC(Nc3nc4c(n3Cc3ccc(F)cc3)=CC3OC3C=4)CC2)cc1 reduction prediction
COc1ccc(CCN2CCC(Nc3nc4c(n3Cc3ccc(F)cc3)=CC3OC3C=4)CC2)cc1 hydrolysis prediction
Oc1ccc(CCN2CCC(Nc3nc4c(n3Cc3ccc(F)cc3)=CC3OC3C=4)CC2)cc1 Quinonation prediction
O=C1C=C(O)C=CC1=CCN1CCC(Nc2nc3c(n2Cc2ccc(F)cc2)=CC2OC2C=3)CC1 N-Dealkylation prediction
O=CC=C1C=CC(O)=CC1=O UGT Conjugation prediction

Maximum generation reached — metabolites here can't start another hop.

Probability scale from 0.0 to 1.0