{"id":"W2139345991","doi":"10.1021/jm500818a","title":"Structure–Activity Relationship Studies and Discovery of a Potent Transient Receptor Potential Vanilloid (TRPV1) Antagonist 4-[3-Chloro-5-[(1<i>S</i>)-1,2-dihydroxyethyl]-2-pyridyl]-<i>N</i>-[5-(trifluoromethyl)-2-pyridyl]-3,6-dihydro-2<i>H</i>-pyridine-1-carboxamide (V116517) as a Clinical Candidate for Pain Management","year":2014,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Ion Channels and Receptors","field":"Neuroscience","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"Purdue Pharma (Canada)","funders":"","keywords":"TRPV1; Chemistry; Capsaicin; Antagonist; In vivo; Pharmacokinetics; Pharmacology; Transient receptor potential channel; In vitro; Stereochemistry; Lead compound; Chemical synthesis; Receptor; Biochemistry","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":[0.004863903,0.0006505384,0.001535375,0.0002099551,0.000431109,0.00009735793,0.0006572152,0.0003697317,0.00003317782],"category_scores_gemma":[0.003915345,0.0004969043,0.0006845142,0.0004479587,0.0009807898,0.0004672334,0.0001845281,0.001145696,0.000001799867],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002181598,"about_ca_system_score_gemma":0.0002316051,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002393261,"about_ca_topic_score_gemma":0.000003910125,"domain_scores_codex":[0.9939973,0.000730046,0.002116056,0.000890488,0.001536819,0.0007293397],"domain_scores_gemma":[0.9945111,0.002186154,0.00194476,0.0004379081,0.0003783632,0.0005417127],"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":[0.002946245,0.0004956101,0.0004714563,0.002014001,0.0004463215,0.0001251307,0.0006559421,0.000554021,0.9773376,0.0001589012,0.00290619,0.01188859],"study_design_scores_gemma":[0.006478898,0.001878032,0.0005013412,0.001033463,0.0007156621,0.000563572,0.001380697,0.001580532,0.977511,0.002610526,0.005068635,0.000677666],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9881109,0.001361763,0.004430702,0.002572666,0.002408895,0.0006224734,0.0001273557,0.00003865624,0.0003265906],"genre_scores_gemma":[0.9934864,0.002766159,0.0009712227,0.0005800814,0.001646687,0.00002176437,0.00001342229,0.00007462417,0.0004396255],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01121092,"threshold_uncertainty_score":0.9997482,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02649345734441593,"score_gpt":0.3119778803481005,"score_spread":0.2854844230036846,"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."}}