{"id":"W4320490788","doi":"10.1021/acs.jmedchem.2c01268","title":"Homologation of the Alkyl Side Chain of Antimitotic Phenyl 4-(2-Oxo-3-alkylimidazolidin-1-yl)benzenesulfonate Prodrugs Selectively Targeting CYP1A1-Expressing Breast Cancers Improves Their Stability in Rodent Liver Microsomes","year":2023,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval; Institut universitaire de cardiologie et de pneumologie de Québec; Hôpital Saint-François d'Assise","funders":"Institute of Cancer Research; Fonds de Recherche du Québec - Santé; Canadian Institutes of Health Research; Merck Sharp and Dohme; Canada Foundation for Innovation; Centre Hospitalier Universitaire de Québec; Réseau Québécois de Recherche sur les Médicaments; Université Laval","keywords":"Chemistry; Prodrug; Alkyl; Moiety; Microsome; Stereochemistry; Pharmacology; Biochemistry; In vitro; Biology; Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009152682,0.000298731,0.0001685484,0.0000996439,0.00005490524,0.0000889626,0.000132496,0.00016498,0.0007839178],"category_scores_gemma":[0.0001210814,0.00009154592,0.000117554,0.0001018898,0.00009961065,0.0001182543,0.0001035902,0.0002881583,0.0002299413],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000137803,"about_ca_system_score_gemma":0.0001716611,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003277368,"about_ca_topic_score_gemma":0.0005307968,"domain_scores_codex":[0.9999285,0.00001566807,0.00000661463,0.00001494918,0.00001651494,0.00001783758],"domain_scores_gemma":[0.9999009,0.00001072256,0.0000519627,0.00001001547,0.00001150482,0.00001484026],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001057554,0.00001428253,0.0001253384,0.00001810447,0.000002856074,0.00002506393,0.000005627599,0.00007287924,0.9986363,0.0000383166,0.000009140324,0.0009462876],"study_design_scores_gemma":[0.00001099288,0.0006279888,0.0009148515,0.000001221094,0.000008123672,0.00008073936,0.000004625543,0.0001449559,0.9974605,0.000006707737,0.0007374315,0.000001923291],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9975576,0.0003344525,0.001417687,0.00002448112,0.000007103523,0.00001767564,0.00007247196,0.00003723219,0.0005312075],"genre_scores_gemma":[0.9967549,0.000440998,0.001530873,0.00002345025,0.000004731519,0.00001534807,0.0001890538,0.00001227578,0.001028239],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007839178,"threshold_uncertainty_score":0.002622485,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01412722731948035,"score_gpt":0.2394102673607948,"score_spread":0.2252830400413145,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}