Detailed information for compound 1701703

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 323.343 | Formula: C19H17NO4
  • H donors: 0 H acceptors: 2 LogP: 3.53 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=Cc1cc(OC)c(c(c1)OC)OC)C(=O)c1ccccc1
  • InChi: 1S/C19H17NO4/c1-22-16-10-13(11-17(23-2)19(16)24-3)9-15(12-20)18(21)14-7-5-4-6-8-14/h4-11H,1-3H3
  • InChiKey: UOUFHXICGIKHAK-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396

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 notch 0.0097 0.0002 0.0002
Brugia malayi Peroxidasin 0.0299 0.0337 0.086
Schistosoma mansoni laminin gamma-3 chain 0.0097 0.0002 0.0002
Onchocerca volvulus 0.0299 0.0337 1
Loa Loa (eye worm) hypothetical protein 0.0299 0.0337 0.0336
Loa Loa (eye worm) animal heme peroxidase 0.0299 0.0337 0.0336
Loa Loa (eye worm) hypothetical protein 0.0299 0.0337 0.0336
Schistosoma mansoni hypothetical protein 0.0097 0.0002 0.0002
Loa Loa (eye worm) solute carrier family 8 0.6126 1 1
Echinococcus granulosus sodium:potassium:calcium exchanger 6 0.0155 0.0098 0.0096
Schistosoma mansoni septate junction protein 0.0097 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0097 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0155 0.0098 0.0096
Onchocerca volvulus Peroxidasin homolog 0.0299 0.0337 1
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.0098 0.042
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0155 0.0098 0.0098
Loa Loa (eye worm) animal heme peroxidase 0.0299 0.0337 0.0336
Loa Loa (eye worm) hypothetical protein 0.0299 0.0337 0.0336
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0031 0.0029
Echinococcus granulosus sodium:potassium:calcium exchanger 0.0155 0.0098 0.0096
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0031 0.5
Schistosoma mansoni hypothetical protein 0.0155 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0299 0.0337 0.0336
Loa Loa (eye worm) blistered cuticle protein 3 0.0299 0.0337 0.0336
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0031 0.0029
Brugia malayi Animal haem peroxidase family protein 0.0299 0.0337 0.086
Brugia malayi Animal haem peroxidase family protein 0.0299 0.0337 0.086
Schistosoma mansoni hypothetical protein 0.0097 0.0002 0.0002
Schistosoma mansoni peroxidasin 0.0299 0.0337 0.0337
Schistosoma mansoni notch 0.0097 0.0002 0.0002
Loa Loa (eye worm) animal heme peroxidase 0.0299 0.0337 0.0336
Schistosoma mansoni peroxidasin 0.0299 0.0337 0.0337
Mycobacterium leprae Probable ionic transporter integral membrane protein ChaA 0.0155 0.0098 0.5
Loa Loa (eye worm) hypothetical protein 0.0299 0.0337 0.0336
Schistosoma mansoni hypothetical protein 0.0097 0.0002 0.0002
Onchocerca volvulus 0.0299 0.0337 1
Trypanosoma brucei polo-like protein kinase 0.0114 0.0031 0.5
Loa Loa (eye worm) hypothetical protein 0.0299 0.0337 0.0336
Brugia malayi Na/Ca eXchangers family member (ncx-4) 0.0155 0.0098 0.0246
Plasmodium vivax cation/H+ antiporter, putative 0.0155 0.0098 0.5
Brugia malayi hypothetical protein 0.0299 0.0337 0.086
Onchocerca volvulus 0.0299 0.0337 1
Echinococcus multilocularis sodium calcium exchanger 0.6126 1 1
Entamoeba histolytica sodium/calcium exchanger protein, putative 0.0155 0.0098 1
Loa Loa (eye worm) hypothetical protein 0.245 0.3905 0.3904
Loa Loa (eye worm) hypothetical protein 0.0299 0.0337 0.0336
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0031 0.0031
Onchocerca volvulus Peroxidase homolog 0.0299 0.0337 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0031 0.5
Loa Loa (eye worm) Na/Ca eXchangers family member 0.0155 0.0098 0.0096
Echinococcus multilocularis peroxidasin 0.0299 0.0337 0.0336
Loa Loa (eye worm) hypothetical protein 0.0299 0.0337 0.0336
Loa Loa (eye worm) hypothetical protein 0.0299 0.0337 0.0336
Echinococcus multilocularis sodium:potassium:calcium exchanger 0.0155 0.0098 0.0096
Onchocerca volvulus Chorion peroxidase homolog 0.0299 0.0337 1
Schistosoma mansoni notch 0.0097 0.0002 0.0002
Onchocerca volvulus Peroxidasin homolog 0.0299 0.0337 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0031 0.5
Loa Loa (eye worm) hypothetical protein 0.0299 0.0337 0.0336
Loa Loa (eye worm) hypothetical protein 0.0299 0.0337 0.0336
Brugia malayi Animal haem peroxidase family protein 0.0299 0.0337 0.086
Schistosoma mansoni lipoxygenase 0.0137 0.0068 0.0068
Schistosoma mansoni notch 0.0097 0.0002 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.0098 0.042
Schistosoma mansoni notch 0.0097 0.0002 0.0002
Brugia malayi Animal haem peroxidase family protein 0.0299 0.0337 0.086
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0031 0.0861
Onchocerca volvulus Peroxidase homolog 0.0299 0.0337 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0031 0.0029
Toxoplasma gondii manganese resistance 1 protein, putative 0.0155 0.0098 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.0098 0.0096
Schistosoma mansoni na/ca exchanger 0.0155 0.0098 0.0098
Plasmodium falciparum cation/H+ antiporter 0.0155 0.0098 0.5
Loa Loa (eye worm) hypothetical protein 0.0299 0.0337 0.0336
Schistosoma mansoni hypothetical protein 0.0097 0.0002 0.0002
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0137 0.0068 0.0067
Echinococcus granulosus peroxidasin 0.0299 0.0337 0.0336
Onchocerca volvulus Sodium\/potassium\/calcium exchanger 0.0155 0.0098 0.2864
Loa Loa (eye worm) hypothetical protein 0.0299 0.0337 0.0336
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0155 0.0098 0.0098
Treponema pallidum hypothetical protein 0.0155 0.0098 0.5
Brugia malayi K+-dependent Na+/Ca+ exchanger related-protein 0.0155 0.0098 0.0246
Schistosoma mansoni hypothetical protein 0.0097 0.0002 0.0002
Brugia malayi Sodium/calcium exchanger protein 0.245 0.3905 1
Schistosoma mansoni cell polarity protein 0.0097 0.0002 0.0002
Schistosoma mansoni notch 0.0097 0.0002 0.0002
Onchocerca volvulus Dual oxidase homolog 0.0299 0.0337 1
Mycobacterium tuberculosis Probable ionic transporter integral membrane protein ChaA 0.0155 0.0098 0.5
Trichomonas vaginalis alpha-L-fucosidase, putative 0.108 0.1633 1
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.0098 0.042
Brugia malayi Animal haem peroxidase family protein 0.0299 0.0337 0.086
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0097 0.0002 0.0002
Giardia lamblia Kinase, PLK 0.0114 0.0031 1
Loa Loa (eye worm) animal heme peroxidase 0.0299 0.0337 0.0336
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0031 0.0074
Loa Loa (eye worm) hypothetical protein 0.0299 0.0337 0.0336
Schistosoma mansoni hypothetical protein 0.0097 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0155 0.0098 0.0096
Brugia malayi Blistered cuticle protein 3 0.0299 0.0337 0.086
Trichomonas vaginalis alpha-L-fucosidase, putative 0.108 0.1633 1
Echinococcus multilocularis sodium:potassium:calcium exchanger 6 0.0155 0.0098 0.0096
Schistosoma mansoni sodium/calcium exchanger 0.6126 1 1
Schistosoma mansoni slit 0.0097 0.0002 0.0002
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0137 0.0068 0.0067

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.7686 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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