SSR180711 (BioDeep_00000271383)

代谢物信息卡片

4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate

化学式: C14H17BrN2O2 (324.0473)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: BrC1=CC=C(OC(=O)N2CCN3CCC2CC3)C=C1
InChI: InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2

描述信息

CONFIDENCE standard compound; INTERNAL_ID 540; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6821; ORIGINAL_PRECURSOR_SCAN_NO 6820
CONFIDENCE standard compound; INTERNAL_ID 540; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6858; ORIGINAL_PRECURSOR_SCAN_NO 6856
CONFIDENCE standard compound; INTERNAL_ID 540; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6861; ORIGINAL_PRECURSOR_SCAN_NO 6859
CONFIDENCE standard compound; INTERNAL_ID 540; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6885; ORIGINAL_PRECURSOR_SCAN_NO 6883
CONFIDENCE standard compound; INTERNAL_ID 540; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6890; ORIGINAL_PRECURSOR_SCAN_NO 6888
CONFIDENCE standard compound; INTERNAL_ID 540; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6898; ORIGINAL_PRECURSOR_SCAN_NO 6895

同义名列表

2 个代谢物同义名

4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate; SSR180711

数据库引用编号

10 个数据库交叉引用编号

PubChem: 9797360
ChEMBL: CHEMBL559478
CAS: 298198-52-4
MoNA: LU054006
MoNA: LU054005
MoNA: LU054004
MoNA: LU054003
MoNA: LU054002
MoNA: LU054001
PMhub: MS000002252

分类词条

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。

亚细胞结构定位		关联基因列表

文献列表

Mendi A Higgins, Lawrence R Marcin, F Christopher Zusi, Robert Gentles, Min Ding, Bradley C Pearce, Amy Easton, Walter A Kostich, Matthew A Seager, Clotilde Bourin, Linda J Bristow, Kim A Johnson, Regina Miller, John Hogan, Valerie Whiterock, Michael Gulianello, Meredith Ferrante, Yanling Huang, Adam Hendricson, Andrew Alt, John E Macor, Joanne J Bronson. Triazolopyridine ethers as potent, orally active mGlu2 positive allosteric modulators for treating schizophrenia. Bioorganic & medicinal chemistry. 2017 01; 25(2):496-513. doi: 10.1016/j.bmc.2016.11.018. [PMID: 27914948]
Sven Rötering, Matthias Scheunemann, Steffen Fischer, Achim Hiller, Dan Peters, Winnie Deuther-Conrad, Peter Brust. Radiosynthesis and first evaluation in mice of [(18)F]NS14490 for molecular imaging of α7 nicotinic acetylcholine receptors. Bioorganic & medicinal chemistry. 2013 May; 21(9):2635-42. doi: 10.1016/j.bmc.2013.02.018. [PMID: 23507153]
Jesper T Andreasen, John P Redrobe, Elsebet Ø Nielsen. Combined α7 nicotinic acetylcholine receptor agonism and partial serotonin transporter inhibition produce antidepressant-like effects in the mouse forced swim and tail suspension tests: a comparison of SSR180711 and PNU-282987. Pharmacology, biochemistry, and behavior. 2012 Jan; 100(3):624-9. doi: 10.1016/j.pbb.2011.11.004. [PMID: 22108649]
Anders Ettrup, Jens D Mikkelsen, Szabolcs Lehel, Jacob Madsen, Elsebet Ø Nielsen, Mikael Palner, Daniel B Timmermann, Dan Peters, Gitte M Knudsen. 11C-NS14492 as a novel PET radioligand for imaging cerebral alpha7 nicotinic acetylcholine receptors: in vivo evaluation and drug occupancy measurements. Journal of nuclear medicine : official publication, Society of Nuclear Medicine. 2011 Sep; 52(9):1449-56. doi: 10.2967/jnumed.111.088815. [PMID: 21828113]
R J Goodwin, L Macintyre, D G Watson, S P Scullion, A R Pitt. A solvent-free matrix application method for matrix-assisted laser desorption/ionization imaging of small molecules. Rapid communications in mass spectrometry : RCM. 2010 Jun; 24(11):1682-6. doi: 10.1002/rcm.4567. [PMID: 20486266]
Winnie Deuther-Conrad, Steffen Fischer, Achim Hiller, Elsebet Østergaard Nielsen, Daniel Brunicardi Timmermann, Jörg Steinbach, Osama Sabri, Dan Peters, Peter Brust. Molecular imaging of alpha7 nicotinic acetylcholine receptors: design and evaluation of the potent radioligand [18F]NS10743. European journal of nuclear medicine and molecular imaging. 2009 May; 36(5):791-800. doi: 10.1007/s00259-008-1031-7. [PMID: 19137292]
S E Cauthen, R D Ellis, S B Larrison, M R Kidd. Resolution, purification and characterization of rabbit serum atropinesterase and cocainesterase. Biochemical pharmacology. 1976 Jan; 25(2):181-5. doi: 10.1016/0006-2952(76)90288-4. [PMID: 4075]