{"id":"W1995065771","doi":"10.1021/jm3000449","title":"1,2,3,4-Tetrahydroquinoline-Based Selective Human Neuronal Nitric Oxide Synthase (nNOS) Inhibitors: Lead Optimization Studies Resulting in the Identification of<i>N</i>-(1-(2-(Methylamino)ethyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide as a Preclinical Development Candidate","year":2012,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Nitric Oxide and Endothelin Effects","field":"Medicine","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"NeurAxon (Canada)","funders":"","keywords":"hERG; Chemistry; Pharmacology; Bioavailability; IC50; Neuropathic pain; Lead compound; Biochemistry; In vitro; Potassium channel; Medicine; Internal medicine","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":[0.0003015194,0.0006558,0.0006056807,0.0002951442,0.0001507901,0.0003010922,0.0004934834,0.0002651595,0.001011957],"category_scores_gemma":[0.0001914881,0.0001595608,0.0003929693,0.0002456167,0.0002156797,0.0002526396,0.0002912353,0.0005206902,0.0003510922],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004497051,"about_ca_system_score_gemma":0.0004743121,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007154619,"about_ca_topic_score_gemma":0.003236601,"domain_scores_codex":[0.9998612,0.00002093226,0.00001047563,0.00003495678,0.00003168959,0.00004065211],"domain_scores_gemma":[0.9999375,0.000009077461,0.00001683829,0.000004068307,0.00001749196,0.00001497697],"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":[0.0004382902,0.000575709,0.0004057095,0.0003945876,0.00005129032,0.0005345364,0.00008408191,0.004911192,0.9643075,0.000828467,0.0006120859,0.02685666],"study_design_scores_gemma":[0.000519326,0.009889803,0.002502478,0.00008936958,0.0002341882,0.001366888,0.0000794358,0.007141975,0.9621199,0.000493722,0.01549898,0.00006389392],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9469993,0.02082266,0.022449,0.0004770274,0.0001198986,0.0007667237,0.000824853,0.000305105,0.007235464],"genre_scores_gemma":[0.9590077,0.01790351,0.01738036,0.0002931276,0.00003887247,0.0002354574,0.001179407,0.00004931329,0.003912262],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001011957,"threshold_uncertainty_score":0.003385365,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03683566419005712,"score_gpt":0.348227583651304,"score_spread":0.3113919194612469,"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."}}