Setipiprant (BioDeep_00000183798)

   

human metabolite blood metabolite


代谢物信息卡片


2-[8-fluoro-2-(naphthalene-1-carbonyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl]acetic acid

化学式: C24H19FN2O3 (402.138)
中文名称: 2-(2-(1-萘甲酰基)-8-氟-1.2.3.4-四氢吡啶并[4,3-B]吲哚-5基)乙酸
谱图信息: 最多检出来源 Homo sapiens(blood) 97.78%

分子结构信息

SMILES: C1CN(CC2=C1N(C3=C2C=C(C=C3)F)CC(=O)O)C(=O)C4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)

描述信息

C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
C177182 - Prostaglandin Receptor Antagonist

同义名列表

5 个代谢物同义名

2-[8-fluoro-2-(naphthalene-1-carbonyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl]acetic acid; 2-(2-(1-Naphthoyl)-8-fluoro-3,4-dihydro-1H-pyrido(4,3-b)indol-5(2H)-yl)acetic acid; [8-fluoro-2-(naphthalene-1-carbonyl)-1H,3H,4H-pyrido[4,3-b]indol-5-yl]acetic acid; KYTH-105Setipiprant; Setipiprant



数据库引用编号

8 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

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。

亚细胞结构定位 关联基因列表


文献列表

  • Andreas Krause, Jochen Zisowsky, Daniel S Strasser, Martine Gehin, Patricia N Sidharta, Peter M A Groenen, Jasper Dingemanse. Pharmacokinetic/Pharmacodynamic Modelling of Receptor Internalization with CRTH2 Antagonists to Optimize Dose Selection. Clinical pharmacokinetics. 2016 07; 55(7):813-821. doi: 10.1007/s40262-015-0354-3. [PMID: 26692193]
  • Philippe Risch, Thomas Pfeifer, Jerome Segrestaa, Heinz Fretz, Julien Pothier. Verification of the Major Metabolic Oxidation Path for the Naphthoyl Group in Chemoattractant Receptor-Homologous Molecule Expressed on Th2 Cells (CRTh2) Antagonist 2-(2-(1-Naphthoyl)-8-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)acetic Acid (Setipiprant/ACT-129968). Journal of medicinal chemistry. 2015 Oct; 58(20):8011-35. doi: 10.1021/acs.jmedchem.5b00824. [PMID: 26398218]
  • Martine Gehin, Patricia N Sidharta, Carmela Gnerre, Alexander Treiber, Atef Halabi, Jasper Dingemanse. Pharmacokinetic interactions between simvastatin and setipiprant, a CRTH2 antagonist. European journal of clinical pharmacology. 2015 Jan; 71(1):15-23. doi: 10.1007/s00228-014-1767-x. [PMID: 25323804]
  • Patricia N Sidharta, Zuzana Diamant, Jasper Dingemanse. Single- and multiple-dose tolerability and pharmacokinetics of the CRTH2 antagonist setipiprant in healthy male subjects. Fundamental & clinical pharmacology. 2014 Dec; 28(6):690-9. doi: 10.1111/fcp.12079. [PMID: 24734908]
  • Z Diamant, P N Sidharta, D Singh, B J O'Connor, R Zuiker, B R Leaker, M Silkey, J Dingemanse. Setipiprant, a selective CRTH2 antagonist, reduces allergen-induced airway responses in allergic asthmatics. Clinical and experimental allergy : journal of the British Society for Allergy and Clinical Immunology. 2014 Aug; 44(8):1044-52. doi: 10.1111/cea.12357. [PMID: 24964348]
  • Matthias Hoch, Janine Wank, Ina Kluge, Winfried Wagner-Redeker, Jasper Dingemanse. Disposition and metabolism of setipiprant, a selective oral CRTH2 antagonist, in humans. Drugs in R&D. 2013 Dec; 13(4):253-69. doi: 10.1007/s40268-013-0031-7. [PMID: 24214422]