{"id":"W4416223912","doi":"10.1021/acsmedchemlett.5c00601","title":"Design, Synthesis, and Biological Evaluation of C2-(N-Substituted Amino) Truncated 4′-Thioadenosine Derivatives as A 2A AR and A 3 AR Dual Ligands","year":2025,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Adenosine and Purinergic Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Future Earth","funders":"National Research Foundation of Korea; Korea Health Industry Development Institute","keywords":"Linker; Amine gas treating; Ligand (biochemistry); G protein-coupled receptor; Inverse agonist; Aryl; Receptor; Dual (grammatical number); Adenosine receptor","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":[0.0001700278,0.0002728907,0.0002033161,0.00007107184,0.0001039181,0.0002096423,0.0002974595,0.000277716,0.000933296],"category_scores_gemma":[0.0001091491,0.0001185084,0.0001691172,0.0000893214,0.0001462475,0.0001621944,0.0001466245,0.000357731,0.0003739425],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002467409,"about_ca_system_score_gemma":0.0001869281,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004670132,"about_ca_topic_score_gemma":0.00094962,"domain_scores_codex":[0.9999392,0.0000116194,0.000005224551,0.00001375045,0.00001560116,0.00001451486],"domain_scores_gemma":[0.9999452,0.000006627471,0.00001880199,0.000005052271,0.00001098605,0.00001338681],"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":[0.0001120349,0.00005420117,0.00005770516,0.00008043631,0.0000087465,0.00009658534,0.00002472341,0.0009591248,0.993778,0.0003387163,0.0001134849,0.004376231],"study_design_scores_gemma":[0.00006089842,0.001766535,0.000474857,0.000007761461,0.00002476437,0.0002190184,0.00002037114,0.001716443,0.9892704,0.00007214872,0.006353582,0.0000132382],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9764333,0.003148051,0.01377301,0.000159828,0.00004264691,0.0001965171,0.0004308198,0.0001281516,0.005687806],"genre_scores_gemma":[0.983002,0.002090014,0.01107683,0.00009329988,0.00001090349,0.0001175371,0.0003871778,0.00001814643,0.003204032],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.000933296,"threshold_uncertainty_score":0.003122151,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0195233984972055,"score_gpt":0.2574986668641089,"score_spread":0.2379752683669034,"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."}}