Detailed information for compound 1870936

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 247.291 | Formula: C17H13NO
  • H donors: 0 H acceptors: 2 LogP: 3.98 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=Cc1ccc(cc1)C)C(=O)c1ccccc1
  • InChi: 1S/C17H13NO/c1-13-7-9-14(10-8-13)11-16(12-18)17(19)15-5-3-2-4-6-15/h2-11H,1H3
  • InChiKey: CLBTVLCRSHJGOF-UHFFFAOYSA-N  


Substructure search Similarity search

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
Trichomonas vaginalis CAMK family protein kinase 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
Leishmania infantum protein kinase, putative,polo-like protein kinase, 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
Leishmania major protein kinase, putative,polo-like protein kinase, putative 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
Entamoeba histolytica serine/threonine 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
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative 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
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
Trichomonas vaginalis CAMK family 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
Trypanosoma cruzi polo-like protein kinase, putative 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
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative 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
Echinococcus granulosus serine:threonine protein kinase PLK1 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
Trypanosoma cruzi 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
Giardia lamblia Kinase, PLK 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
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 0.0017 0.0142 0.0168
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.4595 0.4595
Loa Loa (eye worm) hypothetical protein 0.0055 0.3384 0.3384
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.8455 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.4595 0.5434
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0 0.5
Echinococcus granulosus GPCR family 2 0.0017 0.0142 0.0168
Schistosoma mansoni hypothetical protein 0.0038 0.1884 0.2228
Brugia malayi TAR-binding protein 0.0069 0.4595 0.4595
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.8455 1
Schistosoma mansoni hypothetical protein 0.0017 0.0142 0.0168
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.8455 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.8455 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.4595 0.5434
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0142 0.0168
Giardia lamblia Kinase, PLK 0.0114 0.8455 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.8455 1
Echinococcus multilocularis GPCR, family 2 0.0017 0.0142 0.0168
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.3384 0.3384
Schistosoma mansoni tar DNA-binding protein 0.0069 0.4595 0.5434
Schistosoma mansoni hypothetical protein 0.0017 0.0142 0.0168
Echinococcus multilocularis tar DNA binding protein 0.0069 0.4595 0.5434
Loa Loa (eye worm) hypothetical protein 0.0038 0.1884 0.1884
Loa Loa (eye worm) TAR-binding protein 0.0069 0.4595 0.4595
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.8455 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.3384 0.3384
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.8455 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.8455 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0142 0.0142
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.8455 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.4595 0.4595
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.8455 0.8455
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.8455 1
Schistosoma mansoni hypothetical protein 0.0017 0.0142 0.0168
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0142 0.0168
Schistosoma mansoni tar DNA-binding protein 0.0069 0.4595 0.5434
Trypanosoma brucei polo-like protein kinase 0.0114 0.8455 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0142 0.0168
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.1884 0.1884
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.8455 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0142 0.0142
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0142 0.0168
Schistosoma mansoni kinase 0.0058 0.3629 0.4292
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0142 0.0142
Schistosoma mansoni tar DNA-binding protein 0.0069 0.4595 0.5434
Echinococcus granulosus tar DNA binding protein 0.0069 0.4595 0.5434
Loa Loa (eye worm) RNA binding protein 0.0069 0.4595 0.4595
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.8455 0.8455
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.8455 1
Loa Loa (eye worm) transcription factor SMAD2 0.0132 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.8455 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.8455 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.3384 0.3384
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0142 0.0142
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.8455 1
Brugia malayi RNA binding protein 0.0069 0.4595 0.4595

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.8888 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

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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