3-(4-Chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide (BioDeep_00000175522)

   

human metabolite blood metabolite


代谢物信息卡片


3-(4-Chlorophenyl)-adamantane-1-carboxylic acid (pyridin-4-ylmethyl)amide

化学式: C23H25ClN2O (380.165531)
中文名称: 奥帕尼布
谱图信息: 最多检出来源 Mus musculus(blood) 59.02%

分子结构信息

SMILES: C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC=NC=C4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)

描述信息

COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, Guide to PHARMACOLOGY
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Corona-virus
Coronavirus
SARS-CoV-2
COVID-19
SARS-CoV
COVID19
SARS2
SARS

同义名列表

5 个代谢物同义名

3-(4-Chlorophenyl)-adamantane-1-carboxylic acid (pyridin-4-ylmethyl)amide; 3-(4-chlorophenyl)-N-[(pyridin-4-yl)methyl]adamantane-1-carboxamide; 3-(4-Chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide; 4-Pyridinylmethyl-3-(4-chlorophenyl) adamantane carboxamide; ABC294640



数据库引用编号

6 个数据库交叉引用编号

分类词条

相关代谢途径

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代谢反应

0 个相关的代谢反应过程信息。

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BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

1 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Tiandi Ding, Ying Zhi, Weilin Xie, Qingqiang Yao, Bo Liu. Rational design of SphK inhibitors using crystal structures aided by computer. European journal of medicinal chemistry. 2021 Mar; 213(?):113164. doi: 10.1016/j.ejmech.2021.113164. [PMID: 33454547]
  • David R Adams, Salha Tawati, Giacomo Berretta, Paula Lopez Rivas, Jessica Baiget, Zhong Jiang, Aisha Alsfouk, Simon P Mackay, Nigel J Pyne, Susan Pyne. Topographical Mapping of Isoform-Selectivity Determinants for J-Channel-Binding Inhibitors of Sphingosine Kinases 1 and 2. Journal of medicinal chemistry. 2019 04; 62(7):3658-3676. doi: 10.1021/acs.jmedchem.9b00162. [PMID: 30889352]
  • Mariam Alsanafi, Samuel L Kelly, Karawan Jubair, Melissa McNaughton, Rothwelle J Tate, Alfred H Merrill, Susan Pyne, Nigel J Pyne. Native and Polyubiquitinated Forms of Dihydroceramide Desaturase Are Differentially Linked to Human Embryonic Kidney Cell Survival. Molecular and cellular biology. 2018 12; 38(23):. doi: 10.1128/mcb.00222-18. [PMID: 30224516]
  • Geethani Bandara, Rosa Muñoz-Cano, Araceli Tobío, Yuzhi Yin, Hirsh D Komarow, Avanti Desai, Dean D Metcalfe, Ana Olivera. Targeting Sphingosine Kinase Isoforms Effectively Reduces Growth and Survival of Neoplastic Mast Cells With D816V-KIT. Frontiers in immunology. 2018; 9(?):631. doi: 10.3389/fimmu.2018.00631. [PMID: 29643855]
  • Carolyn D Britten, Elizabeth Garrett-Mayer, Steven H Chin, Keisuke Shirai, Besim Ogretmen, Tricia A Bentz, Alan Brisendine, Kate Anderton, Susan L Cusack, Lynn W Maines, Yan Zhuang, Charles D Smith, Melanie B Thomas. A Phase I Study of ABC294640, a First-in-Class Sphingosine Kinase-2 Inhibitor, in Patients with Advanced Solid Tumors. Clinical cancer research : an official journal of the American Association for Cancer Research. 2017 Aug; 23(16):4642-4650. doi: 10.1158/1078-0432.ccr-16-2363. [PMID: 28420720]
  • Melissa McNaughton, Melissa Pitman, Stuart M Pitson, Nigel J Pyne, Susan Pyne. Proteasomal degradation of sphingosine kinase 1 and inhibition of dihydroceramide desaturase by the sphingosine kinase inhibitors, SKi or ABC294640, induces growth arrest in androgen-independent LNCaP-AI prostate cancer cells. Oncotarget. 2016 Mar; 7(13):16663-75. doi: 10.18632/oncotarget.7693. [PMID: 26934645]
  • Heather Venant, Mehrdad Rahmaniyan, E Ellen Jones, Ping Lu, Michael B Lilly, Elizabeth Garrett-Mayer, Richard R Drake, Jacqueline M Kraveka, Charles D Smith, Christina Voelkel-Johnson. The Sphingosine Kinase 2 Inhibitor ABC294640 Reduces the Growth of Prostate Cancer Cells and Results in Accumulation of Dihydroceramides In Vitro and In Vivo. Molecular cancer therapeutics. 2015 Dec; 14(12):2744-52. doi: 10.1158/1535-7163.mct-15-0279. [PMID: 26494858]
  • Molly D Congdon, Elizabeth S Childress, Neeraj N Patwardhan, James Gumkowski, Emily A Morris, Yugesh Kharel, Kevin R Lynch, Webster L Santos. Structure-activity relationship studies of the lipophilic tail region of sphingosine kinase 2 inhibitors. Bioorganic & medicinal chemistry letters. 2015 Nov; 25(21):4956-4960. doi: 10.1016/j.bmcl.2015.03.041. [PMID: 25862200]
  • Elizabeth Ellen Jones, Peng Gao, Charles D Smith, James S Norris, Richard R Drake. Tissue biomarkers of drug efficacy: case studies using a MALDI-MSI workflow. Bioanalysis. 2015; 7(20):2611-9. doi: 10.4155/bio.15.174. [PMID: 26505686]
  • Daniel Plano, Shantu Amin, Arun K Sharma. Importance of sphingosine kinase (SphK) as a target in developing cancer therapeutics and recent developments in the synthesis of novel SphK inhibitors. Journal of medicinal chemistry. 2014 Jul; 57(13):5509-24. doi: 10.1021/jm4011687. [PMID: 24471412]
  • Martin D White, Lucas Chan, James W Antoon, Barbara S Beckman. Targeting ovarian cancer and chemoresistance through selective inhibition of sphingosine kinase-2 with ABC294640. Anticancer research. 2013 Sep; 33(9):3573-9. doi: ". [PMID: 24023282]
  • Darin J Gustin, Yihong Li, Matthew L Brown, Xiaoshan Min, Mike J Schmitt, Malgorzata Wanska, Xiaodong Wang, Richard Connors, Sheere Johnstone, Mario Cardozo, Alan C Cheng, Shawn Jeffries, Brendon Franks, Shyun Li, Shanling Shen, Mariwil Wong, Holger Wesche, Guifen Xu, Timothy J Carlson, Matthew Plant, Kurt Morgenstern, Karen Rex, Joanna Schmitt, Angela Coxon, Nigel Walker, Frank Kayser, Zhulun Wang. Structure guided design of a series of sphingosine kinase (SphK) inhibitors. Bioorganic & medicinal chemistry letters. 2013 Aug; 23(16):4608-16. doi: 10.1016/j.bmcl.2013.06.030. [PMID: 23845219]
  • Ashley J Snider, Phillip Ruiz, Lina M Obeid, Jim C Oates. Inhibition of sphingosine kinase-2 in a murine model of lupus nephritis. PloS one. 2013; 8(1):e53521. doi: 10.1371/journal.pone.0053521. [PMID: 23301082]
  • Francesco Poti, Martine Bot, Sara Costa, Valeria Bergonzini, Lynn Maines, Georg Varga, Hendrik Freise, Horst Robenek, Manuela Simoni, Jerzy-Roch Nofer. Sphingosine kinase inhibition exerts both pro- and anti-atherogenic effects in low-density lipoprotein receptor-deficient (LDL-R(-/-)) mice. Thrombosis and haemostasis. 2012 Mar; 107(3):552-61. doi: 10.1160/th11-08-0583. [PMID: 22234485]
  • Qinlong Liu, Hasibur Rehman, Yanjun Shi, Yasodha Krishnasamy, John J Lemasters, Charles D Smith, Zhi Zhong. Inhibition of sphingosine kinase-2 suppresses inflammation and attenuates graft injury after liver transplantation in rats. PloS one. 2012; 7(7):e41834. doi: 10.1371/journal.pone.0041834. [PMID: 22848628]
  • Vladimir Beljanski, Christian Knaak, Yan Zhuang, Charles D Smith. Combined anticancer effects of sphingosine kinase inhibitors and sorafenib. Investigational new drugs. 2011 Dec; 29(6):1132-42. doi: 10.1007/s10637-010-9452-0. [PMID: 20473784]
  • Vladimir Beljanski, Clayton S Lewis, Charles D Smith. Antitumor activity of sphingosine kinase 2 inhibitor ABC294640 and sorafenib in hepatocellular carcinoma xenografts. Cancer biology & therapy. 2011 Mar; 11(5):524-34. doi: 10.4161/cbt.11.5.14677. [PMID: 21258214]
  • Alexander A Chumanevich, Deepak Poudyal, Xiangli Cui, Tia Davis, Patricia A Wood, Charles D Smith, Lorne J Hofseth. Suppression of colitis-driven colon cancer in mice by a novel small molecule inhibitor of sphingosine kinase. Carcinogenesis. 2010 Oct; 31(10):1787-93. doi: 10.1093/carcin/bgq158. [PMID: 20688834]
  • Vladimir Beljanski, Christian Knaak, Charles D Smith. A novel sphingosine kinase inhibitor induces autophagy in tumor cells. The Journal of pharmacology and experimental therapeutics. 2010 May; 333(2):454-64. doi: 10.1124/jpet.109.163337. [PMID: 20179157]
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