[{"data":1,"prerenderedAt":-1},["ShallowReactive",2],{"detail-sidebar-cat-1-en-105":3,"doc-seo-195116-105":53,"doc-detail-195116-en":126},{"code":4,"msg":5,"data":6},0,"success",[7,14,19,24,29,34,39,44,49],{"id":8,"doc_module":9,"doc_module_name":10,"category_name":11,"show_sort_weight":12,"slug":13},11,1,"Template","Presentations",90,"presentations",{"id":15,"doc_module":9,"doc_module_name":10,"category_name":16,"show_sort_weight":17,"slug":18},12,"Resumes",80,"resumes",{"id":20,"doc_module":9,"doc_module_name":10,"category_name":21,"show_sort_weight":22,"slug":23},14,"Invoices",70,"invoices",{"id":25,"doc_module":9,"doc_module_name":10,"category_name":26,"show_sort_weight":27,"slug":28},15,"Posters",60,"posters",{"id":30,"doc_module":9,"doc_module_name":10,"category_name":31,"show_sort_weight":32,"slug":33},16,"Social Media",50,"social-media",{"id":35,"doc_module":9,"doc_module_name":10,"category_name":36,"show_sort_weight":37,"slug":38},17,"Forms",40,"forms",{"id":40,"doc_module":9,"doc_module_name":10,"category_name":41,"show_sort_weight":42,"slug":43},18,"Letters",30,"letters",{"id":45,"doc_module":9,"doc_module_name":10,"category_name":46,"show_sort_weight":47,"slug":48},21,"Paper Templates",5,"papers-templates",{"id":50,"doc_module":9,"doc_module_name":10,"category_name":51,"show_sort_weight":4,"slug":52},158,"General","general-158",{"code":4,"msg":54,"data":55},"ok",{"site_id":56,"language":57,"slug":58,"title":59,"keywords":60,"description":61,"schema_data":62,"social_meta":119,"head_meta":121,"extra_data":123,"updated_unix":125},105,"en","compound-data-analysis","Compound Data Analysis","","This document presents a detailed analysis of various compounds, including their molecular weight (MW), predicted octanol-water partition coefficient (cLog P), distribution coefficient at pH 7.4 (cLog D 7.4), hydrogen bond donor (HBD) and acceptor (HBA) counts, and the number of Lipinski's Rule of Five (Ro5) violations. The data is presented in a tabular format for clarity, allowing for easy comparison between different compounds. Following the physicochemical properties, the document further elaborates on the in vitro activity of these compounds against Plasmodium falciparum strains (3D7 and Dd2) and HEK293 cells, reporting their IC50 values and selectivity indices (SI). Essential control compounds, Pyrimethamine, Artesunate, and Puromycin, are included for benchmarking the efficacy and selectivity of the novel compounds. The analysis aims to provide a comprehensive understanding of the druglike properties and antimalarial potential of the studied compounds, facilitating further research and development in medicinal chemistry. Comprehensive data on eleven compounds and three controls provides insights into their characteristics.",{"@graph":63,"@context":118},[64,80,101],{"@type":65,"itemListElement":66},"BreadcrumbList",[67,71,74,77],{"item":68,"name":69,"@type":70,"position":9},"https://docshare.wps.com","Home","ListItem",{"item":72,"name":10,"@type":70,"position":73},"https://docshare.wps.com/template/",2,{"item":75,"name":51,"@type":70,"position":76},"https://docshare.wps.com/template/general/",3,{"item":78,"name":59,"@type":70,"position":79},"https://docshare.wps.com/template/compound-data-analysis/195116/",4,{"url":78,"name":59,"@type":81,"image":82,"author":87,"headline":59,"publisher":90,"fileFormat":93,"inLanguage":57,"description":61,"dateModified":94,"datePublished":95,"encodingFormat":93,"isAccessibleForFree":96,"interactionStatistic":97},"DigitalDocument",{"url":83,"@type":84,"width":85,"height":86},"https://docshare.wps.com/thumbnails/compound-data-analysis/195116.png","ImageObject",442,249,{"name":88,"@type":89},"Asher","Person",{"url":68,"name":91,"@type":92},"DocShare","Organization","application/pdf","2026-09-19","2026-09-03",true,{"@type":98,"interactionType":99,"userInteractionCount":73},"InteractionCounter",{"@type":100},"ViewAction",{"@type":102,"mainEntity":103},"FAQPage",[104,110,114],{"name":105,"@type":106,"acceptedAnswer":107},"What physicochemical properties are analyzed for each compound?","Question",{"text":108,"@type":109},"The analysis includes molecular weight, cLog P, cLog D 7.4, hydrogen bond donors (HBD), hydrogen bond acceptors (HBA), and Lipinski's Rule of Five (Ro5) violations.","Answer",{"name":111,"@type":106,"acceptedAnswer":112},"How is the antimalarial activity of the compounds evaluated?",{"text":113,"@type":109},"The antimalarial activity is assessed by determining the IC50 values against two strains of Plasmodium falciparum (3D7 and Dd2) and against HEK293 cells, as well as calculating the selectivity indices.",{"name":115,"@type":106,"acceptedAnswer":116},"What are the functions of the control compounds listed?",{"text":117,"@type":109},"Control compounds like Pyrimethamine, Artesunate, and Puromycin are used as benchmarks to compare the efficacy and selectivity of the newly tested compounds.","https://schema.org",{"og:url":78,"og:type":120,"og:title":59,"og:site_name":91,"og:description":61},"article",{"robots":122,"canonical":78},"index,follow",{"doc_id":124,"site_id":56},195116,1788445487,{"code":4,"msg":5,"data":127},{"doc_id":124,"user_id":128,"nickname":88,"user_avatar":129,"doc_module":9,"category_id":50,"category_name":51,"doc_title":59,"doc_description":61,"doc_content":130,"file_id":131,"file_url":132,"file_type":133,"file_size":134,"view_count":73,"is_deleted":4,"is_public":9,"is_downloadable":9,"audit_status":9,"page_count":8,"language":135,"language_code":57,"site_id":56,"html_lang":57,"table_of_contents":136,"faqs":137,"seo_title":138,"seo_description":61,"update_tm":125,"read_time":79},687197207639,"https://ap-avatar.wpscdn.com/davatar_a8503ba1806abce46bf441b54a3ca4cd","| Compound | MW | cLog P | cLog D 7.4 | HBD | HBA | Ro5\u003Cbr>Violations |\n| --- | --- | --- | --- | --- | --- | --- |\n| 1 | 293 | 􀀀1.52 | 􀀀3.19 | 3 | 6 | 0 |\n| 2 | 393 | 􀀀0.02 | 􀀀0.02 | 3 | 6 | 0 |\n| 3 | 471 | 1.56 | 1.56 | 3 | 6 | 0 |\n| 4 | 549 | 2.02 | 1.95 | 3 | 6 | 0 |\n| 5 | 371 | 0.06 | 􀀀1.61 | 3 | 6 | 0 |\n| 6 | 449 | 0.15 | 􀀀0.94 | 3 | 6 | 0 |\n| 7 | 519 | 1.72 | 1.72 | 3 | 6 | 1 |\n| 8 | 645 | 2.27 | 2.21 | 3 | 6 | 1 |\n| 9 | 419 | 0.22 | 􀀀1.45 | 3 | 6 | 0 |\n| 10 | 545 | 0.50 | 􀀀0.61 | 3 | 6 | 1 |\n| 11 | 429 | 􀀀0.42 | 􀀀1.50 | 3 | 6 | 0 |\n\n\n| Compound | Pf 3D7 a\u003Cbr>IC50 􀀆 SD 􀀖M | PfDd2 b\u003Cbr>IC50 􀀆 SD 􀀖M | HEK293 c\u003Cbr>IC50 􀀆 SD 􀀖M | SI for 3D7 d | SI for Dd2 d |\n| --- | --- | --- | --- | --- | --- |\n| 1 | 0.061 􀀆 0.009 | 0.008 􀀆 0.001 | 1.32 􀀆 0.092 | 22 | 150 |\n| 2 | 0.227 􀀆 0.044 | 0.086 􀀆 0.012 | 5.53 􀀆 0.021 | 24 | 64 |\n| 3 | 3.515 􀀆 0.350 | 0.583 􀀆 0.094 | >80 | >23 | >137 |\n| 4 | 1.373 􀀆 0.117 | 2.060 􀀆 0.192 | >80 | >58 | >39 |\n| 5 | 0.559 􀀆 0.145 | 0.058 􀀆 0.016 | >80 | >143 | >1379 |\n| 6 | 1.653 􀀆 0.194 | 0.487 􀀆 0.098 | >80 | >48 | >164 |\n| 7 | 5.623 􀀆 0.383 | 1.194 􀀆 0.270 | >80 | >14 | >67 |\n| 8 | 1.623 􀀆 0.154 | 0.659 􀀆 0.119 | >80 | >49 | >121 |\n| 9 | 2.223 􀀆 0.248 | 0.317 􀀆 0.008 | >80 | >36 | >252 |\n| 10 | 1.685 􀀆 0.316 | 0.725 􀀆 0.244 | >80 | >47 | >110 |\n| 11 | 6.800 􀀆 2.444 | 4.550 􀀆 1.154 | >80 | >12 | >18 |\n| Controls | Pf 3D7 a\u003Cbr>IC50 􀀆 SD nM | PfDd2 b\u003Cbr>IC50 􀀆 SD nM | HEK293 c\u003Cbr>IC50 􀀆 SD nM | SI for 3D7 d | SI for Dd2 d |\n| Pyrimethamine | 3.75 􀀆 0.30 | IA e | >40,000 | >10,666 | - |\n| Artesunate | 0.49 􀀆 0.20 | 0.38 􀀆 0.01 | >4000 | >8163 | >10,526 |\n| Puromycin | 31.95 􀀆 16.2 | 17.00 􀀆 3.96 | 1044 􀀆 66 | 33 | 61 |","cbCaiezHDzjDq4yj","https://ap.wps.com/l/cbCaiezHDzjDq4yj","pdf",1050203,"English","# Compound Physicochemical Properties\n# Compound In Vitro Activity","[{\"question\":\"What physicochemical properties are analyzed for each compound?\",\"answer\":\"The analysis includes molecular weight, cLog P, cLog D 7.4, hydrogen bond donors (HBD), hydrogen bond acceptors (HBA), and Lipinski's Rule of Five (Ro5) violations.\"},{\"question\":\"How is the antimalarial activity of the compounds evaluated?\",\"answer\":\"The antimalarial activity is assessed by determining the IC50 values against two strains of Plasmodium falciparum (3D7 and Dd2) and against HEK293 cells, as well as calculating the selectivity indices.\"},{\"question\":\"What are the functions of the control compounds listed?\",\"answer\":\"Control compounds like Pyrimethamine, Artesunate, and Puromycin are used as benchmarks to compare the efficacy and selectivity of the newly tested compounds.\"}]","Compound Data Analysis | PDF"]