{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0007476092,0.0003665905,0.0004278069,0.00007800043,0.0001323831,0.00002680778,0.0001776458,0.0003415612,0.000009664568],"category_scores_gemma":[0.0009601432,0.0003231697,0.00006684466,0.0002596217,0.0005612226,0.00001389719,0.0001381526,0.0002394884,0.00000115761],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003612959,"about_ca_system_score_gemma":0.0001891292,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001079273,"about_ca_topic_score_gemma":5.583335e-7,"domain_scores_codex":[0.9980116,0.0001398293,0.0004673432,0.0006466031,0.000386471,0.0003481684],"domain_scores_gemma":[0.9989084,0.0002118241,0.0002232006,0.0003013359,0.000216924,0.0001383296],"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":[0.0003717547,0.00006854624,0.0007391069,0.0001380422,0.0002391933,0.00002975512,0.0001326243,0.00007199714,0.9942766,0.000005674789,0.001826546,0.00210017],"study_design_scores_gemma":[0.00137512,0.0001138844,0.002390419,0.0002683469,0.0003399362,0.0001265724,0.0002224329,0.0001897986,0.9945143,0.00007558959,0.00007813782,0.0003054874],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9898722,0.006200901,0.001856204,0.001594573,0.00006183411,0.000292026,0.00001114303,0.00002611716,0.00008495651],"genre_scores_gemma":[0.9975595,0.0009696208,0.0001500383,0.0008156339,0.0002484774,0.00007252354,0.0001561128,0.00002082004,0.000007310203],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007687218,"threshold_uncertainty_score":0.999922,"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."}}