{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002801519,0.0005674476,0.0007038856,0.0003424686,0.0002290907,0.0003728361,0.0004328105,0.0003040339,0.00134671],"category_scores_gemma":[0.0002700471,0.0002092156,0.0004715417,0.0003315513,0.0002701856,0.0002872775,0.0002038549,0.0006755647,0.0004224275],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003565825,"about_ca_system_score_gemma":0.0007007289,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000953917,"about_ca_topic_score_gemma":0.003091254,"domain_scores_codex":[0.9998629,0.00002974077,0.00001269816,0.00002712878,0.00003153122,0.00003590927],"domain_scores_gemma":[0.9999157,0.00001177314,0.00002273222,0.000007786387,0.00001733905,0.00002461233],"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":[0.0005965502,0.0007963186,0.0005254933,0.0002159425,0.00004661853,0.0002749863,0.00006337646,0.001362012,0.9798022,0.0003582752,0.0002565,0.01570175],"study_design_scores_gemma":[0.001710335,0.04262098,0.01043929,0.00006788552,0.0004838033,0.002016971,0.0000789154,0.004337477,0.9245851,0.0002851093,0.01330985,0.00006428559],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9814099,0.009176036,0.004510693,0.0003020154,0.00005087249,0.0004531237,0.0006440021,0.00008576072,0.003367526],"genre_scores_gemma":[0.9806208,0.008585755,0.006254265,0.0001659356,0.00004793583,0.0001626446,0.001587377,0.00001784261,0.002557507],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00134671,"threshold_uncertainty_score":0.004505157,"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."}}