2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (BioDeep_00000838238)

   


代谢物信息卡片


2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

化学式: C29H32N6OS (512.2358181999999)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1=CC(=NC=N1)C2=CC3=C(C=C2)C(CC3)N4CC5(C4)CCN(CC5)C(=O)CC6=CN7C=C(SC7=N6)C
InChI: InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1

描述信息

同义名列表

1 个代谢物同义名

2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone



数据库引用编号

4 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)

0 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

  • Enoch Cobbina, Mary R Lee, Lorenzo Leggio, Fatemeh Akhlaghi. A Population Pharmacokinetic Analysis of PF-5190457, a Novel Ghrelin Receptor Inverse Agonist in Healthy Volunteers and in Heavy Alcohol Drinkers. Clinical pharmacokinetics. 2021 04; 60(4):471-484. doi: 10.1007/s40262-020-00942-7. [PMID: 33155163]
  • Mehdi Farokhnia, Jeanelle Portelli, Mary R Lee, Gray R McDiarmid, Vikas Munjal, Kelly M Abshire, Jillian T Battista, Brittney D Browning, Sara L Deschaine, Fatemeh Akhlaghi, Lorenzo Leggio. Effects of exogenous ghrelin administration and ghrelin receptor blockade, in combination with alcohol, on peripheral inflammatory markers in heavy-drinking individuals: Results from two human laboratory studies. Brain research. 2020 08; 1740(?):146851. doi: 10.1016/j.brainres.2020.146851. [PMID: 32339499]
  • Sravani Adusumalli, Rohitash Jamwal, Lorenzo Leggio, Fatemeh Akhlaghi. Development and validation of an assay for a novel ghrelin receptor inverse agonist PF-5190457 and its major hydroxy metabolite (PF-6870961) by LC-MS/MS in human plasma. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2019 Nov; 1130-1131(?):121820. doi: 10.1016/j.jchromb.2019.121820. [PMID: 31670107]
  • Sravani Adusumalli, Rohitash Jamwal, R Scott Obach, Tim F Ryder, Lorenzo Leggio, Fatemeh Akhlaghi. Role of Molybdenum-Containing Enzymes in the Biotransformation of the Novel Ghrelin Receptor Inverse Agonist PF-5190457: A Reverse Translational Bed-to-Bench Approach. Drug metabolism and disposition: the biological fate of chemicals. 2019 08; 47(8):874-882. doi: 10.1124/dmd.119.087015. [PMID: 31182423]
  • William S Denney, Gabriele E Sonnenberg, Santos Carvajal-Gonzalez, Theresa Tuthill, V Margaret Jackson. Pharmacokinetics and pharmacodynamics of PF-05190457: The first oral ghrelin receptor inverse agonist to be profiled in healthy subjects. British journal of clinical pharmacology. 2017 02; 83(2):326-338. doi: 10.1111/bcp.13127. [PMID: 27621150]
  • Mwlod Ghareeb, Lorenzo Leggio, Ayman El-Kattan, Fatemeh Akhlaghi. Development and validation of an UPLC-MS/MS assay for quantitative analysis of the ghrelin receptor inverse agonist PF-5190457 in human or rat plasma and rat brain. Analytical and bioanalytical chemistry. 2015 Jul; 407(19):5603-13. doi: 10.1007/s00216-015-8730-2. [PMID: 25943263]