{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009562131,0.0002793715,0.0001767005,0.00008423411,0.00009469251,0.0001749329,0.0003222481,0.0002647455,0.001302767],"category_scores_gemma":[0.00009990154,0.0001062207,0.0001636937,0.0001059033,0.00011762,0.000225305,0.0001646308,0.0003666839,0.000352981],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001458121,"about_ca_system_score_gemma":0.0001695192,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003015389,"about_ca_topic_score_gemma":0.0006194114,"domain_scores_codex":[0.9999611,0.000006844482,0.000003188102,0.000009224314,0.000006875348,0.00001268979],"domain_scores_gemma":[0.9999716,0.00000324294,0.00001132839,0.0000032117,0.000004070814,0.000006515442],"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":[0.000221992,0.00008511954,0.0001598465,0.000257528,0.00001967555,0.0003459618,0.00006473256,0.001266574,0.9841814,0.001783011,0.0003616961,0.01125249],"study_design_scores_gemma":[0.00007455168,0.002349035,0.001098248,0.0000242813,0.00004138874,0.0003789476,0.00003851333,0.002606463,0.9774975,0.0002716257,0.01559286,0.00002656473],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.972218,0.003143011,0.01397754,0.0002175194,0.00009640284,0.0001190046,0.0005582685,0.0001685363,0.009501643],"genre_scores_gemma":[0.9881822,0.001762197,0.006727916,0.0001069252,0.00001689806,0.0000563148,0.0004051414,0.00002093252,0.002721384],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001302767,"threshold_uncertainty_score":0.004358232,"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."}}