Detailed information for compound 1756533

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 263.291 | Formula: C17H13NO2
  • H donors: 0 H acceptors: 2 LogP: 3.59 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=Cc1cccc(c1)OC)C(=O)c1ccccc1
  • InChi: 1S/C17H13NO2/c1-20-16-9-5-6-13(11-16)10-15(12-18)17(19)14-7-3-2-4-8-14/h2-11H,1H3
  • InChiKey: FBPZURQXENQWDD-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
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
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
Loa Loa (eye worm) PLK/PLK1 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
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative 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
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
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
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
Trichomonas vaginalis CAMK family protein kinase 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
Trypanosoma congolense protein kinase, putative 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
Schistosoma japonicum Serine/threonine-protein kinase PLK1, 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
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
Echinococcus granulosus serine:threonine protein kinase PLK1 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
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
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
Brugia malayi Latrophilin receptor protein 2 0.0018 0.011 0.0639
Loa Loa (eye worm) hypothetical protein 0.0027 0.0208 0.1214
Brugia malayi acetyltransferase, GNAT family protein 0.0168 0.1716 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0134 0.0779
Trypanosoma cruzi Peptide deformylase 2, putative 0.0277 0.2893 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1139 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0208 0.027
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0533 0.3108
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0134 0.0173
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0208 0.027
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0168 0.1716 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.1139 0.6639
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0049 0.0444 0.3893
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0208 0.027
Schistosoma mansoni kinase 0.0058 0.0537 0.3126
Giardia lamblia Kinase, PLK 0.0114 0.1139 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0208 0.1214
Loa Loa (eye worm) hypothetical protein 0.0018 0.011 0.0639
Loa Loa (eye worm) hypothetical protein 0.0021 0.0134 0.0779
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.052 0.4567
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.052 0.4567
Loa Loa (eye worm) acetyltransferase 0.0168 0.1716 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0122 0.0158
Brugia malayi hypothetical protein 0.0142 0.1437 0.8375
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0122 0.0158
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0727 0.7723 1
Trypanosoma brucei Polypeptide deformylase 1 0.0277 0.2893 1
Schistosoma mansoni hypothetical protein 0.0018 0.011 0.0639
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1139 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0058 0.0533 0.3108
Schistosoma mansoni hypothetical protein 0.0018 0.011 0.0639
Leishmania major polypeptide deformylase-like protein, putative 0.0277 0.2893 1
Plasmodium vivax peptide deformylase, putative 0.0727 0.7723 1
Onchocerca volvulus 0.0027 0.0208 0.1449
Plasmodium falciparum peptide deformylase 0.0727 0.7723 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.0444 0.0574
Mycobacterium ulcerans peptide deformylase 0.0727 0.7723 1
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0337 0.1965
Toxoplasma gondii hypothetical protein 0.0727 0.7723 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0727 0.7723 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0134 0.0173
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.1139 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.1437 0.8375
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.1139 0.7928
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0208 0.027
Schistosoma mansoni hypothetical protein 0.0018 0.011 0.0639
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0208 0.027
Entamoeba histolytica acetyltransferase, GNAT family 0.0045 0.0399 0.3505
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.1139 0.6841
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0208 0.1214
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0122 0.0158
Schistosoma mansoni hypothetical protein 0.0039 0.0337 0.1965
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.1139 0.3938
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.1139 0.1139
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1139 1
Chlamydia trachomatis peptide deformylase 0.0727 0.7723 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0134 0.0173
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0208 0.1828
Loa Loa (eye worm) hypothetical protein 0.0021 0.0134 0.0779
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0208 0.027
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.0444 0.0574
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1139 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0208 0.027
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.1139 0.6639
Schistosoma mansoni hypothetical protein 0.0018 0.011 0.0639
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0208 0.027
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.011 0.0658
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1139 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.0399 0.0517
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.011 0.0639
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0208 0.027
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0208 0.027
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0277 0.2893 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0134 0.0779
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0134 0.0173
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0277 0.2893 1
Onchocerca volvulus Huntingtin homolog 0.0142 0.1437 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0122 0.0158
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1139 1
Echinococcus multilocularis GPCR, family 2 0.0018 0.011 0.011
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0208 0.1828
Loa Loa (eye worm) hypothetical protein 0.0027 0.0208 0.1214
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0208 0.027
Loa Loa (eye worm) hypothetical protein 0.0039 0.0337 0.1965
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.0444 0.0574
Loa Loa (eye worm) hypothetical protein 0.0021 0.0134 0.0779
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.1139 0.6639
Trypanosoma brucei Peptide deformylase 2 0.0277 0.2893 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0208 0.072
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.011 0.011
Treponema pallidum polypeptide deformylase (def) 0.0727 0.7723 0.5
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0208 0.1214
Trypanosoma brucei polo-like protein kinase 0.0114 0.1139 0.3938
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0208 0.1828
Loa Loa (eye worm) hypothetical protein 0.0027 0.0208 0.1214
Trichomonas vaginalis bromodomain-containing protein, putative 0.0049 0.0444 0.3893
Echinococcus granulosus histone acetyltransferase KAT2B 0.0163 0.1666 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1139 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.1437 0.8375
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.1139 0.3938
Mycobacterium ulcerans hypothetical protein 0.0027 0.0208 0.027
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.0444 0.2663
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0727 0.7723 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.1139 0.3938
Echinococcus granulosus GPCR family 2 0.0018 0.011 0.0658
Onchocerca volvulus Huntingtin homolog 0.0142 0.1437 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0277 0.2893 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0533 0.3108
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0208 0.072
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.011 0.0639
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0533 0.3108
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0168 0.1716 0.1716
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.011 0.0658
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0208 0.072

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.1192 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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