Detailed information for compound 1756329

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 340.373 | Formula: C19H20N2O4
  • H donors: 2 H acceptors: 2 LogP: 1.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCC(=O)N1CCc2c(C1c1cccc(c1)O)cc1c(c2)OCO1
  • InChi: 1S/C19H20N2O4/c20-6-4-18(23)21-7-5-12-9-16-17(25-11-24-16)10-15(12)19(21)13-2-1-3-14(22)8-13/h1-3,8-10,19,22H,4-7,11,20H2
  • InChiKey: AYCYABKGOUZYOC-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 kinesin family member 11 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica kinesin, putative Get druggable targets OG5_128460 All targets in OG5_128460
Cryptosporidium parvum kinesin-like boursin, putative Get druggable targets OG5_128460 All targets in OG5_128460
Loa Loa (eye worm) kinesin-like protein KLP2 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium yoelii Kinesin motor domain, putative Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium berghei kinesin-5, putative Get druggable targets OG5_128460 All targets in OG5_128460
Echinococcus multilocularis kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium vivax kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium knowlesi kinesin-5, putative Get druggable targets OG5_128460 All targets in OG5_128460
Cryptosporidium hominis kinesin-like boursin Get druggable targets OG5_128460 All targets in OG5_128460
Candida albicans kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein Get druggable targets OG5_128460 All targets in OG5_128460
Schistosoma japonicum ko:K10398 kinesin family member 11, putative Get druggable targets OG5_128460 All targets in OG5_128460
Neospora caninum hypothetical protein Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium falciparum kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Brugia malayi Kinesin motor domain containing protein Get druggable targets OG5_128460 All targets in OG5_128460
Candida albicans kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein Get druggable targets OG5_128460 All targets in OG5_128460
Echinococcus granulosus kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460
Giardia lamblia Kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Toxoplasma gondii kinesin motor domain-containing protein Get druggable targets OG5_128460 All targets in OG5_128460
Schistosoma mansoni kinesin eg-5 Get druggable targets OG5_128460 All targets in OG5_128460

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
Schistosoma mansoni hypothetical protein 0.0303 0.3136 0.3136
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0303 0.3136 0.3136
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0496 1 1
Onchocerca volvulus 0.0496 1 1
Echinococcus multilocularis tyrosine kinase 0.0496 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0496 1 1
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0303 0.3136 0.2249
Echinococcus multilocularis SH2 domain containing adapter protein F 0.0303 0.3136 0.2249
Schistosoma mansoni tensin 0.0303 0.3136 0.3136
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0496 1 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0496 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0496 1 1
Schistosoma mansoni growth factor receptor-bound protein 0.0303 0.3136 0.3136
Brugia malayi Protein kinase domain containing protein 0.0496 1 1
Schistosoma mansoni hypothetical protein 0.0303 0.3136 0.3136
Schistosoma mansoni tyrosine kinase 0.0496 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0496 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0496 1 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.0303 0.3136 0.2249
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0496 1 1
Echinococcus multilocularis N chimaerin 0.0303 0.3136 0.2249
Echinococcus multilocularis SH2 motif 0.0303 0.3136 0.2249
Echinococcus multilocularis tensin 0.0303 0.3136 0.2249
Schistosoma mansoni tyrosine kinase 0.0496 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0496 1 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0496 1 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0496 1 1
Echinococcus multilocularis c src tyrosine kinase 0.0496 1 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0496 1 1
Loa Loa (eye worm) SRC-1 0.0496 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0496 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0496 1 1
Echinococcus multilocularis tyrosine protein kinase shark 0.0496 1 1
Schistosoma mansoni suppressor of cytokine signaling 0.0303 0.3136 0.3136
Echinococcus granulosus tyrosine protein kinase shark 0.0496 1 1
Echinococcus multilocularis signal transduction protein lnk realted 0.0303 0.3136 0.2249
Echinococcus granulosus tyrosine protein kinase Fyn 0.0496 1 1
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0303 0.3136 0.2249
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0496 1 1
Echinococcus granulosus tensin 0.0303 0.3136 0.2249
Schistosoma mansoni tyrosine kinase 0.0496 1 1
Echinococcus multilocularis SH2 domain containing protein 7 0.0303 0.3136 0.2249
Echinococcus granulosus SH2 domain containing protein 7 0.0303 0.3136 0.2249
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0496 1 1
Schistosoma mansoni vav2 0.0303 0.3136 0.3136
Echinococcus multilocularis NCK adaptor protein 0.0303 0.3136 0.2249
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0303 0.3136 0.2249
Echinococcus granulosus hypothetical protein 0.0303 0.3136 0.2249
Schistosoma mansoni shc transforming protein 0.0303 0.3136 0.3136
Echinococcus granulosus tyrosine kinase 0.0496 1 1
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0496 1 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0496 1 1
Echinococcus granulosus growth factor receptor bound protein 2 0.0303 0.3136 0.2249
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0303 0.3136 0.2249
Schistosoma mansoni tyrosine kinase 0.0496 1 1
Echinococcus multilocularis SHC transforming protein 3 0.0303 0.3136 0.2249
Brugia malayi Protein kinase domain containing protein 0.0496 1 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0496 1 1
Echinococcus granulosus NCK adaptor protein 0.0303 0.3136 0.2249
Echinococcus granulosus tyrosine protein kinase Srms 0.0496 1 1
Brugia malayi hypothetical protein 0.0496 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0496 1 1
Echinococcus multilocularis SH2 motif 0.0303 0.3136 0.2249
Schistosoma mansoni tyrosine kinase 0.0496 1 1
Echinococcus multilocularis suppressor of cytokine signaling 6 0.0303 0.3136 0.2249
Echinococcus multilocularis SH2 motif 0.0303 0.3136 0.2249
Echinococcus granulosus signal transduction protein lnk realted 0.0303 0.3136 0.2249
Echinococcus multilocularis tyrosine protein kinase Blk 0.0496 1 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0303 0.3136 0.3136
Echinococcus granulosus expressed conserved protein 0.0303 0.3136 0.2249
Schistosoma mansoni adapter molecule crk 0.0303 0.3136 0.3136
Echinococcus granulosus SH2 domain containing adapter protein F 0.0303 0.3136 0.2249
Schistosoma mansoni SH2A 0.0303 0.3136 0.3136
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0496 1 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0496 1 1
Echinococcus granulosus SHC transforming protein 3 0.0303 0.3136 0.2249
Echinococcus multilocularis tensin 0.0303 0.3136 0.2249
Brugia malayi SH2 domain containing protein 0.0496 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0496 1 1
Schistosoma mansoni tyrosine kinase 0.0496 1 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0496 1 1
Onchocerca volvulus 0.0496 1 1
Brugia malayi Protein kinase domain containing protein 0.0496 1 1
Echinococcus granulosus SH2 motif 0.0303 0.3136 0.2249
Echinococcus granulosus suppressor of cytokine signaling 7 0.0303 0.3136 0.2249
Echinococcus granulosus tyrosine protein kinase ABL1 0.0496 1 1
Echinococcus granulosus suppressor of cytokine signaling 6 0.0303 0.3136 0.2249
Onchocerca volvulus 0.0496 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0496 1 1
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0303 0.3136 0.2249
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0496 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0496 1 1
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0496 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0496 1 1
Onchocerca volvulus 0.0496 1 1
Loa Loa (eye worm) hypothetical protein 0.0496 1 1
Schistosoma mansoni tensin 0.0303 0.3136 0.3136
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0303 0.3136 0.2249
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0303 0.3136 0.2249
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0303 0.3136 0.2249
Echinococcus granulosus tyrosine protein kinase Src42A 0.0303 0.3136 0.2249
Echinococcus granulosus c src tyrosine kinase 0.0496 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0303 0.3136 0.2249
Loa Loa (eye worm) TK/FER protein kinase 0.0496 1 1
Loa Loa (eye worm) TK/ABL protein kinase 0.0496 1 1
Echinococcus granulosus tensin C1 domain containing phosphatase 0.0303 0.3136 0.2249
Echinococcus granulosus tyrosine protein kinase Blk 0.0496 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0496 1 1
Loa Loa (eye worm) TK protein kinase 0.0496 1 1
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0303 0.3136 0.3136
Loa Loa (eye worm) TK/FER protein kinase 0.0496 1 1
Brugia malayi SH2 domain containing protein 0.0496 1 1
Echinococcus multilocularis 0.0303 0.3136 0.2249
Loa Loa (eye worm) TK/FER protein kinase 0.0496 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0496 1 1
Schistosoma mansoni signal transduction protein lnk-related 0.0303 0.3136 0.3136
Echinococcus granulosus N chimaerin 0.0303 0.3136 0.2249
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0303 0.3136 0.2249
Brugia malayi Protein kinase domain containing protein 0.0496 1 1
Onchocerca volvulus 0.0496 1 1
Brugia malayi protein-tyrosine kinase 0.0496 1 1
Schistosoma mansoni suppressor of cytokine signaling 0.0303 0.3136 0.3136
Onchocerca volvulus 0.0496 1 1
Echinococcus granulosus SH2 motif 0.0303 0.3136 0.2249
Schistosoma mansoni tensin-related 0.0303 0.3136 0.3136
Schistosoma mansoni nck2/grb4 0.0303 0.3136 0.3136
Schistosoma mansoni tensin 0.0303 0.3136 0.3136
Echinococcus granulosus tyrosine protein kinase Src42A 0.0496 1 1
Schistosoma mansoni tensin-related 0.0303 0.3136 0.3136
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0303 0.3136 0.2249
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0303 0.3136 0.3136
Schistosoma mansoni growth factor receptor-bound protein 0.0303 0.3136 0.3136
Echinococcus multilocularis tyrosine protein kinase Srms 0.0496 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0496 1 1
Echinococcus granulosus tyrosine kinase 0.0496 1 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0496 1 1
Brugia malayi SRC-1 0.0496 1 1
Schistosoma mansoni GTPase activating protein 0.0303 0.3136 0.3136
Schistosoma mansoni tyrosine-protein kinase zap-70 0.0303 0.3136 0.3136

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.02 uM Inhibition of human recombinant Eg5 ATPase activity expressed in Escherichia coli after 30 mins by malachite green-based spectrophotometric analysis ChEMBL. 23434636
Ratio IC50 (binding) > 100 Ratio of monastrol IC50 to compound IC50 for Eg5 (unknown origin) ChEMBL. 23434636

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.