{"id":"W2048360841","doi":"10.1016/j.bmcl.2010.04.065","title":"Discovery of 4-{1-[({1-[4-(trifluoromethyl)benzyl]-1H-indol-7-yl}carbonyl)amino]cyclopropyl}benzoic acid (MF-766), a highly potent and selective EP4 antagonist for treating inflammatory pain","year":2010,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":39,"is_retracted":false,"has_abstract":false,"ca_institutions":"Merck Canada Inc. (Canada); TransCanada (Canada)","funders":"","keywords":"Chemistry; Benzoic acid; Antagonist; Indole test; Potency; In vivo; Stereochemistry; Derivative (finance); Chemical synthesis; Trifluoromethyl; NK1 receptor antagonist; Pharmacology; Pharmacokinetics; In vitro; Biochemistry; Receptor; Organic chemistry; Medicine; Neuropeptide","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":[0.001782347,0.000731124,0.001194449,0.0001961266,0.0002524991,0.00005411735,0.0003059443,0.0005072759,0.0000483651],"category_scores_gemma":[0.001517755,0.0006257892,0.0003102076,0.0004185684,0.0006749933,0.0002128217,0.0001061077,0.001070993,0.000005164306],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002610664,"about_ca_system_score_gemma":0.0005181888,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00009205782,"about_ca_topic_score_gemma":0.00001614864,"domain_scores_codex":[0.9961551,0.0001363658,0.001031236,0.0009342048,0.0008253497,0.0009177364],"domain_scores_gemma":[0.9972829,0.0006251626,0.0006407552,0.0007049427,0.0002283853,0.0005178686],"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":[0.000742672,0.0001562595,0.01427729,0.002121817,0.000284714,0.0002164989,0.0005987245,2.512953e-7,0.9760053,0.00001626362,0.001064682,0.004515569],"study_design_scores_gemma":[0.005078616,0.0004711014,0.01390058,0.0005233624,0.0005581298,0.0003604711,0.0005021034,0.0001623178,0.9768762,0.00002252995,0.0009454824,0.0005990883],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9941827,0.0007319319,0.0007047921,0.002194474,0.0005694827,0.001207165,0.0000674403,0.0001434101,0.0001986116],"genre_scores_gemma":[0.9950045,0.00006323916,0.001210722,0.0009629742,0.002190289,0.0001461751,0.0001392324,0.000132992,0.0001498621],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004335944,"threshold_uncertainty_score":0.9996194,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004648992860490745,"score_gpt":0.2161176122319535,"score_spread":0.2114686193714627,"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."}}