{"id":"W4416436408","doi":"10.1021/acsmedchemlett.5c00614","title":"Discovery of a Novel Template, <i>N</i> 3-1′-Homologated 4′-Truncated Thiosugar-Substituted Xanthine as an A <sub>3</sub> AR Antagonist via Conversion of an A <sub>1</sub> AR Antagonist","year":2025,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Adenosine and Purinergic Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Future Earth","funders":"National Research Foundation of Korea; Korea Health Industry Development Institute","keywords":"Antagonist; Xanthine; Antagonism; Downregulation and upregulation; Receptor; Adenosine receptor; G protein-coupled receptor; Cricetulus","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0004003931,0.0005914751,0.0007474586,0.0001158969,0.0002128706,0.00004111912,0.0006747987,0.000515122,0.00001032056],"category_scores_gemma":[0.000141178,0.0005692529,0.000209571,0.0005321665,0.0008517882,0.00005986321,0.0002270957,0.0004688762,0.000002619232],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006865841,"about_ca_system_score_gemma":0.0004023342,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002572039,"about_ca_topic_score_gemma":0.000009842729,"domain_scores_codex":[0.996946,0.00009111955,0.0009152598,0.0009518721,0.0005003909,0.0005952975],"domain_scores_gemma":[0.9979469,0.00006783096,0.0005783391,0.0008978649,0.0002740841,0.0002349722],"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":[0.00186198,0.0005338999,0.0008130425,0.0005718764,0.000339394,0.0001938788,0.0001171115,0.0001530311,0.9930712,0.000007961795,0.002207726,0.0001289141],"study_design_scores_gemma":[0.003510674,0.0004252738,0.0003089768,0.000361683,0.0003010103,0.0003307616,0.0003075862,0.000314233,0.9933245,0.00001639768,0.0002728017,0.0005260642],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9952178,0.0005462331,0.002515956,0.0006865661,0.0002625945,0.0003093191,0.0001961675,0.00005697827,0.0002083827],"genre_scores_gemma":[0.9947346,0.0002101679,0.0001944998,0.001689094,0.0003298039,0.00002124989,0.002732529,0.000056065,0.00003193653],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002536362,"threshold_uncertainty_score":0.9996759,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006572754939592314,"score_gpt":0.2355452589400073,"score_spread":0.228972504000415,"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."}}