Anagrelide

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Anagrelide Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1CN2CC3=C(N=C2N1)C(=O)C=C(Cl)C3=O N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1CNC(=NC2=C(C(=O)O)C(=O)C(Cl)=CC2=O)N1 UGT Conjugation prediction

Generation 3

glucuronidation · 0.99

*OC(=O)C1=C(N=C2NCC(=O)N2)C(=O)C=C(Cl)C1=O |$GlcA;;;;;;;;;;;;;;;;;;;$|