{"doi":"10.17615/8hj7-0260","title":"Synthesis and structure activity relationships of DCLK1 kinase inhibitors based on a 5,11-dihydro-6H-benzo[e]pyrimido[5,4-b] [1,4]diazepin-6-one scaffold","abstract":"Doublecortin-like kinase 1 (DCLK1) is a serine/threonine kinase that is overexpressed in gastrointestinal cancers, including esophageal, gastric, colorectal, and pancreatic cancers. DCLK1 is also used as a marker of tuft cells, which regulate type II immunity in the gut. However, the substrates and functions of DCLK1 are understudied. We recently described the first selective DCLK1/2 inhibitor, DCLK1-IN-1, developed to aid the functional characterization of this important kinase. Here we describe the synthesis and structure-activity relationships of 5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one DCLK1 inhibitors, resulting in the identification of DCLK1-IN-1.","journal":"Figshare","year":2024,"id":478263,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":4,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9509,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2024-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":12575,"name":"Stephen J. Capuzzi","orcid":"0000-0003-0001-8211","position":1,"is_corresponding":false},{"id":363328,"name":"Kenneth D. Westover","orcid":"0000-0003-3653-5923","position":2,"is_corresponding":false},{"id":12435,"name":"Eugene Muratov","orcid":"0000-0003-4616-7036","position":3,"is_corresponding":false},{"id":258074,"name":"Jinhua Wang","orcid":"0000-0002-1214-4103","position":4,"is_corresponding":false},{"id":363326,"name":"Wayne Harshbarger","orcid":"0000-0002-1673-0679","position":5,"is_corresponding":false},{"id":226581,"name":"Nathanael S. Gray","orcid":"0000-0001-5354-7403","position":6,"is_corresponding":false},{"id":266354,"name":"Ling Huang","orcid":"0000-0001-8855-788X","position":7,"is_corresponding":false},{"id":108077,"name":"Alexander Tropsha","orcid":"0000-0003-3802-8896","position":8,"is_corresponding":false},{"id":272177,"name":"Xianming Deng","orcid":"0000-0002-9354-5864","position":9,"is_corresponding":false},{"id":263777,"name":"Yan Liu","orcid":"0000-0002-9123-4974","position":10,"is_corresponding":false},{"id":347438,"name":"Fleur M. Ferguson","orcid":"0000-0003-4091-7617","position":11,"is_corresponding":false},{"id":51552,"name":"Senthil K. Muthuswamy","orcid":"0000-0001-6564-9634","position":0,"is_corresponding":true}],"reference_count":0,"raw_metadata":null,"created_at":"2026-07-19T02:06:42.155024Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}