{"id":"W2887597537","doi":"10.1021/acs.jmedchem.8b01045","title":"Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2-<i>a</i>]pyrazin-3-ylethynyl)-4-isopropyl-<i>N</i>-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2","year":2018,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Cell Adhesion Molecules Research","field":"Medicine","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Structural Genomics Consortium; Jinan University; National Natural Science Foundation of China; Wellcome Trust; Wellcome","keywords":"Chemistry; Benzamide; In vivo; Lead compound; DDR1; Kinase; Pharmacology; Discoidin domain; In vitro; Jurkat cells; IC50; Drug discovery; Stereochemistry; Biochemistry; Receptor tyrosine kinase; Immunology","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001773329,0.0004728357,0.0002271757,0.0002317779,0.0001602315,0.000225897,0.0003786264,0.0002358458,0.001593743],"category_scores_gemma":[0.00008726634,0.0001796079,0.0002465829,0.0001382163,0.0001714513,0.0001837891,0.0001382553,0.0002078215,0.0005582806],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000411695,"about_ca_system_score_gemma":0.0006795365,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006828285,"about_ca_topic_score_gemma":0.001457448,"domain_scores_codex":[0.9999218,0.00001094463,0.0000096968,0.00002317851,0.00001699234,0.00001731232],"domain_scores_gemma":[0.9999548,0.000001987443,0.00001530427,0.00000428107,0.000009808227,0.00001393101],"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":[0.000163095,0.0001249562,0.0001139115,0.0001738497,0.00001260717,0.00009361928,0.00001614345,0.0007973364,0.9896792,0.0005372677,0.0001262984,0.008161687],"study_design_scores_gemma":[0.0002916366,0.003660401,0.001169415,0.00001706726,0.00006709529,0.0003128225,0.00001492004,0.001235966,0.9794239,0.00009033412,0.01369714,0.00001929512],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9426542,0.00602954,0.03680587,0.0002650274,0.0001436326,0.001596308,0.001799728,0.000251396,0.01045438],"genre_scores_gemma":[0.9732394,0.002323946,0.01723555,0.00008301327,0.00002181949,0.0003237044,0.001041154,0.00001625897,0.005715204],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001593743,"threshold_uncertainty_score":0.005331576,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04472675153089769,"score_gpt":0.3363741136035741,"score_spread":0.2916473620726764,"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."}}