Detailed information for compound 1748147

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 273.37 | Formula: C17H23NO2
  • H donors: 1 H acceptors: 1 LogP: 2.64 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC#Cc1ccc(cc1)OCCCN1CCCCC1
  • InChi: 1S/C17H23NO2/c19-14-4-6-16-7-9-17(10-8-16)20-15-5-13-18-11-2-1-3-12-18/h7-10,19H,1-3,5,11-15H2
  • InChiKey: WNFFRHGLNAABMA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histamine receptor H3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis tyrosine protein kinase Fgr 0.236 1 1
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.1417 0.2016 0.2016
Brugia malayi Variant SH3 domain containing protein 0.1417 0.2016 0.2016
Echinococcus granulosus tyrosine protein kinase Lyn 0.236 1 1
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.1417 0.2016 0.2016
Brugia malayi tRNA modification GTPase TrmE family protein 0.1417 0.2016 0.2016
Loa Loa (eye worm) variant SH3 domain-containing protein 0.1417 0.2016 0.2016
Schistosoma mansoni shc transforming protein 0.1417 0.2016 0.2016
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.1417 0.2016 0.2016
Echinococcus multilocularis tyrosine protein kinase Abl 0.236 1 1
Echinococcus multilocularis c src tyrosine kinase 0.236 1 1
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Brugia malayi hypothetical protein 0.236 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.236 1 1
Echinococcus multilocularis NCK adaptor protein 0.1417 0.2016 0.2016
Brugia malayi Variant SH3 domain containing protein 0.1417 0.2016 0.2016
Echinococcus granulosus tyrosine kinase 0.236 1 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.236 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.236 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.236 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.236 1 1
Schistosoma mansoni suppressor of cytokine signaling 0.1417 0.2016 0.2016
Schistosoma mansoni tyrosine kinase 0.236 1 1
Schistosoma mansoni adapter molecule crk 0.1417 0.2016 0.2016
Loa Loa (eye worm) protein-tyrosine phosphatase 0.1417 0.2016 0.2016
Echinococcus multilocularis suppressor of cytokine signaling 6 0.1417 0.2016 0.2016
Brugia malayi SH2 domain containing protein 0.1417 0.2016 0.2016
Echinococcus granulosus tyrosine protein kinase Src42A 0.236 1 1
Echinococcus multilocularis SHC transforming protein 3 0.1417 0.2016 0.2016
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Echinococcus multilocularis tyrosine protein kinase Src64B 0.236 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.236 1 1
Echinococcus granulosus signal transduction protein lnk realted 0.1417 0.2016 0.2016
Schistosoma mansoni hypothetical protein 0.1417 0.2016 0.2016
Brugia malayi Variant SH3 domain containing protein 0.1417 0.2016 0.2016
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.1417 0.2016 0.2016
Brugia malayi SH2 domain containing protein 0.1417 0.2016 0.2016
Loa Loa (eye worm) TK/FER protein kinase 0.236 1 1
Echinococcus multilocularis signal transduction protein lnk realted 0.1417 0.2016 0.2016
Echinococcus multilocularis SH2 domain containing protein 7 0.1417 0.2016 0.2016
Echinococcus granulosus SH2 domain containing protein 7 0.1417 0.2016 0.2016
Brugia malayi Protein kinase domain containing protein 0.236 1 1
Brugia malayi Protein kinase domain containing protein 0.236 1 1
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Loa Loa (eye worm) TK protein kinase 0.236 1 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.1417 0.2016 0.2016
Onchocerca volvulus 0.236 1 1
Echinococcus granulosus N chimaerin 0.1417 0.2016 0.2016
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Loa Loa (eye worm) SH2 domain-containing protein 0.1417 0.2016 0.2016
Loa Loa (eye worm) TK/FER protein kinase 0.236 1 1
Schistosoma mansoni tensin-related 0.1417 0.2016 0.2016
Loa Loa (eye worm) SH2 domain-containing protein 0.1417 0.2016 0.2016
Schistosoma mansoni nck2/grb4 0.1417 0.2016 0.2016
Echinococcus granulosus tyrosine protein kinase Fyn 0.236 1 1
Brugia malayi SH2 domain containing protein 0.236 1 1
Brugia malayi Tensin 0.1417 0.2016 0.2016
Echinococcus multilocularis tyrosine protein kinase Srms 0.236 1 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.1417 0.2016 0.2016
Brugia malayi Tyrosine-protein kinase abl-1 0.236 1 1
Schistosoma mansoni SH2A 0.1417 0.2016 0.2016
Brugia malayi cytokine inducible SH2-containing protein 5 0.1417 0.2016 0.2016
Echinococcus granulosus SHC transforming protein 3 0.1417 0.2016 0.2016
Echinococcus granulosus tyrosine protein kinase Fyn 0.236 1 1
Onchocerca volvulus 0.236 1 1
Schistosoma mansoni hypothetical protein 0.1417 0.2016 0.2016
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.236 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.236 1 1
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.236 1 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.236 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.1417 0.2016 0.2016
Echinococcus granulosus suppressor of cytokine signaling 6 0.1417 0.2016 0.2016
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.1417 0.2016 0.2016
Echinococcus granulosus c src tyrosine kinase 0.236 1 1
Loa Loa (eye worm) RhoGAP domain-containing protein 0.1417 0.2016 0.2016
Onchocerca volvulus 0.236 1 1
Brugia malayi protein-tyrosine kinase 0.236 1 1
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Schistosoma mansoni tyrosine kinase 0.236 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.236 1 1
Schistosoma mansoni tyrosine kinase 0.236 1 1
Schistosoma mansoni tyrosine-protein kinase zap-70 0.1417 0.2016 0.2016
Echinococcus multilocularis tyrosine protein kinase Fyn 0.236 1 1
Brugia malayi Protein kinase domain containing protein 0.236 1 1
Echinococcus granulosus growth factor receptor bound protein 2 0.1417 0.2016 0.2016
Brugia malayi SH2 domain containing protein 0.1417 0.2016 0.2016
Echinococcus multilocularis tensin 0.1417 0.2016 0.2016
Echinococcus granulosus hypothetical protein 0.1417 0.2016 0.2016
Onchocerca volvulus 0.236 1 1
Echinococcus granulosus tyrosine protein kinase Blk 0.236 1 1
Loa Loa (eye worm) hypothetical protein 0.236 1 1
Entamoeba histolytica SH2-protein kinase domain containing protein 0.236 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.236 1 1
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Loa Loa (eye worm) TK/FER protein kinase 0.236 1 1
Echinococcus granulosus tensin 0.1417 0.2016 0.2016
Brugia malayi SH2 domain containing protein 0.236 1 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.1417 0.2016 0.2016
Schistosoma mansoni signal transduction protein lnk-related 0.1417 0.2016 0.2016
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Echinococcus granulosus SH2 motif 0.1417 0.2016 0.2016
Echinococcus multilocularis growth factor receptor bound protein 2 0.1417 0.2016 0.2016
Brugia malayi SH2 domain containing protein 0.1417 0.2016 0.2016
Echinococcus multilocularis tensin 0.1417 0.2016 0.2016
Brugia malayi SH2 domain containing protein 0.1417 0.2016 0.2016
Echinococcus granulosus tyrosine kinase 0.236 1 1
Echinococcus granulosus expressed conserved protein 0.1417 0.2016 0.2016
Loa Loa (eye worm) SRC-1 0.236 1 1
Echinococcus multilocularis 0.1417 0.2016 0.2016
Brugia malayi SH2 domain containing protein 0.1417 0.2016 0.2016
Loa Loa (eye worm) SH2 domain-containing protein 0.1417 0.2016 0.2016
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.1417 0.2016 0.2016
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.236 1 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.236 1 1
Echinococcus multilocularis SH2 motif 0.1417 0.2016 0.2016
Brugia malayi Protein kinase domain containing protein 0.236 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.236 1 1
Schistosoma mansoni tensin 0.1417 0.2016 0.2016
Brugia malayi SH2 domain containing protein 0.1417 0.2016 0.2016
Schistosoma mansoni growth factor receptor-bound protein 0.1417 0.2016 0.2016
Echinococcus granulosus SH2 motif 0.1417 0.2016 0.2016
Schistosoma mansoni tyrosine kinase 0.236 1 1
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.1417 0.2016 0.2016
Echinococcus multilocularis tyrosine protein kinase Src42A 0.1417 0.2016 0.2016
Echinococcus granulosus tyrosine protein kinase Srms 0.236 1 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.1417 0.2016 0.2016
Brugia malayi hypothetical protein 0.1417 0.2016 0.2016
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.236 1 1
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.1417 0.2016 0.2016
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.236 1 1
Loa Loa (eye worm) STAT protein 0.1417 0.2016 0.2016
Brugia malayi STAT protein, DNA binding domain containing protein 0.1417 0.2016 0.2016
Loa Loa (eye worm) TK/ABL protein kinase 0.236 1 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.236 1 1
Echinococcus multilocularis suppressor of cytokine signaling 7 0.1417 0.2016 0.2016
Echinococcus granulosus tyrosine protein kinase ABL1 0.236 1 1
Schistosoma mansoni growth factor receptor-bound protein 0.1417 0.2016 0.2016
Schistosoma mansoni tensin 0.1417 0.2016 0.2016
Onchocerca volvulus 0.236 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.236 1 1
Echinococcus multilocularis suppressor of cytokine signaling 7 0.1417 0.2016 0.2016
Schistosoma mansoni tyrosine kinase 0.236 1 1
Schistosoma mansoni GTPase activating protein 0.1417 0.2016 0.2016
Schistosoma mansoni suppressor of cytokine signaling 0.1417 0.2016 0.2016
Echinococcus granulosus suppressor of cytokine signaling 7 0.1417 0.2016 0.2016
Echinococcus granulosus tyrosine protein kinase shark 0.236 1 1
Echinococcus multilocularis SH2 domain containing adapter protein F 0.1417 0.2016 0.2016
Echinococcus multilocularis SH2 motif 0.1417 0.2016 0.2016
Loa Loa (eye worm) TK/FER protein kinase 0.236 1 1
Echinococcus granulosus tensin C1 domain containing phosphatase 0.1417 0.2016 0.2016
Brugia malayi SRC-1 0.236 1 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.236 1 1
Schistosoma mansoni tensin-related 0.1417 0.2016 0.2016
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Brugia malayi Sex muscle abnormal protein 5 0.1417 0.2016 0.2016
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.1417 0.2016 0.2016
Echinococcus granulosus SH2 domain containing adapter protein F 0.1417 0.2016 0.2016
Loa Loa (eye worm) sex muscle abnormal protein 5 0.1417 0.2016 0.2016
Schistosoma mansoni tensin 0.1417 0.2016 0.2016
Echinococcus multilocularis SH2 motif 0.1417 0.2016 0.2016
Echinococcus multilocularis N chimaerin 0.1417 0.2016 0.2016
Echinococcus multilocularis tyrosine protein kinase Fyn 0.236 1 1
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.1417 0.2016 0.2016
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Echinococcus multilocularis tyrosine protein kinase Blk 0.236 1 1
Brugia malayi RhoGAP domain containing protein 0.1417 0.2016 0.2016
Echinococcus granulosus NCK adaptor protein 0.1417 0.2016 0.2016
Onchocerca volvulus 0.236 1 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.236 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.236 1 1
Echinococcus multilocularis tyrosine protein kinase shark 0.236 1 1
Schistosoma mansoni tyrosine kinase 0.236 1 1
Loa Loa (eye worm) hypothetical protein 0.1417 0.2016 0.2016
Schistosoma mansoni vav2 0.1417 0.2016 0.2016
Echinococcus granulosus tyrosine protein kinase Fps85D 0.236 1 1
Echinococcus multilocularis tyrosine kinase 0.236 1 1
Brugia malayi Variant SH3 domain containing protein 0.1417 0.2016 0.2016
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.1417 0.2016 0.2016

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) Displacement of [125I]-iodoproxyfan from histamine H3 receptor in mouse brain cortex after 1 hr by gamma counting analysis ChEMBL. 23535326
Ki (binding) = 15 nM Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis ChEMBL. 23535326

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.