{"id":"W4231360843","doi":"10.1021/acs.jmedchem.9b00525","title":"(<i>S</i>)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase","year":2019,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"PI3K/AKT/mTOR signaling in cancer","field":"Biochemistry, Genetics and Molecular Biology","cited_by":55,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"H2020 Marie Skłodowska-Curie Actions; Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung; Cancer Research Society","keywords":"Chemistry; Morpholino; Bioavailability; Amine gas treating; Oral administration; Pharmacology; Orally active; Stereochemistry; Biochemistry; In vitro; Organic chemistry; Zebrafish","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0001188489,0.0003765336,0.0002201968,0.0001561815,0.000129402,0.0001660415,0.0003463411,0.0003276146,0.002549669],"category_scores_gemma":[0.00009579581,0.000109293,0.0001973575,0.00009826287,0.0001696003,0.0002896774,0.0001829368,0.0003599433,0.001257874],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002053798,"about_ca_system_score_gemma":0.0002021709,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005704008,"about_ca_topic_score_gemma":0.0006420813,"domain_scores_codex":[0.9999111,0.0000154014,0.000006829775,0.00002301089,0.00001846956,0.0000252485],"domain_scores_gemma":[0.9999511,0.000006468769,0.00002193258,0.000003476578,0.000006791189,0.00001023224],"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":[0.0003820874,0.00005551686,0.0001233892,0.0002213735,0.00001002296,0.0001551234,0.00001702956,0.0003563619,0.9866833,0.0006840857,0.000614441,0.01069728],"study_design_scores_gemma":[0.0002205978,0.003406321,0.002506622,0.00001728126,0.00002953784,0.001543157,0.0000203483,0.001564581,0.9731854,0.0001518851,0.01732387,0.00003040714],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9108699,0.01489164,0.03483248,0.0007090354,0.0004231016,0.0003067899,0.002054573,0.001097825,0.03481474],"genre_scores_gemma":[0.9843647,0.002353722,0.007551658,0.0002194288,0.00005507931,0.00008711692,0.0009161987,0.00003624591,0.004415979],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002549669,"threshold_uncertainty_score":0.008529544,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006611390262523066,"score_gpt":0.234158558409189,"score_spread":0.2275471681466659,"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."}}