Detailed information for compound 1688441

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 517.459 | Formula: C27H18F3N5O3
  • H donors: 3 H acceptors: 4 LogP: 6.37 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C1C(=O)C(=C1Nc1ccc(cc1)OC(F)(F)F)Nc1ccnc(n1)Nc1ccc(cc1)c1ccccc1
  • InChi: 1S/C27H18F3N5O3/c28-27(29,30)38-20-12-10-18(11-13-20)32-22-23(25(37)24(22)36)34-21-14-15-31-26(35-21)33-19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-15,32H,(H2,31,33,34,35)
  • InChiKey: SSWUPFAVGNSTID-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 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni serine/threonine 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
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
Loa Loa (eye worm) PLK/PLK1 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
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
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
Trypanosoma cruzi polo-like protein kinase, putative 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
Giardia lamblia Kinase, PLK 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
Candida albicans protein serine/threonine kinase 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
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative 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
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
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
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
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
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

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
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0758 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.9661 0.9656
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0459 0.0358
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1237 0.1847
Schistosoma mansoni caspase-7 (C14 family) 0.0036 0.1928 0.1539
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0758 0.0313
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0758 1
Brugia malayi hypothetical protein 0.0036 0.1928 0.1804
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.181 0.1683
Loa Loa (eye worm) hypothetical protein 0.0025 0.0758 0.066
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0758 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0758 0.0313
Loa Loa (eye worm) hypothetical protein 0.0036 0.1928 0.1842
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0459 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0758 0.0313
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1237 0.1847
Brugia malayi TAR-binding protein 0.0074 0.5869 0.5805
Schistosoma mansoni transcription factor btf3 0.0078 0.6231 0.605
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1237 0.0815
Trypanosoma brucei polo-like protein kinase 0.0114 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0459 0.542
Echinococcus granulosus caspase 2 0.0036 0.1928 0.1539
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0758 0.0313
Echinococcus granulosus transcription factor btf3 0.0078 0.6231 0.605
Loa Loa (eye worm) TAR-binding protein 0.0074 0.5869 0.5825
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.5869 0.5825
Brugia malayi Latrophilin receptor protein 2 0.0035 0.181 0.1683
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0758 0.0313
Echinococcus granulosus GPCR family 2 0.0035 0.181 0.1415
Echinococcus multilocularis GPCR, family 2 0.0035 0.181 0.1415
Brugia malayi Cell death protein 3 precursor 0.0036 0.1928 0.1804
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0758 1
Brugia malayi beta-NAC-like protein 0.0078 0.6231 0.6173
Schistosoma mansoni hypothetical protein 0.0029 0.1141 0.0715
Schistosoma mansoni tar DNA-binding protein 0.0074 0.5869 0.567
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0758 0.0616
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0758 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.9661 0.9658
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.181 0.1415
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.181 0.1415
Leishmania major hypothetical protein, conserved 0.003 0.1237 0.0815
Schistosoma mansoni hypothetical protein 0.0035 0.181 0.1415
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0758 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.6231 0.605
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0459 0.0313
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.181 0.1415
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0459 0.0578
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.181 0.1722
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 1 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0758 1
Onchocerca volvulus Cell death protein 3 homolog 0.0036 0.1928 0.1266
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0459 0.0578
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 1 1
Brugia malayi RNA binding protein 0.0074 0.5869 0.5805
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0758 0.0616
Echinococcus multilocularis tar DNA binding protein 0.0074 0.5869 0.567
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1237 0.1347
Onchocerca volvulus 0.0036 0.1928 0.1266
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Plasmodium vivax basic transcription factor 3b, putative 0.0078 0.6231 1
Echinococcus multilocularis caspase 2 0.0036 0.1928 0.1539
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0758 0.0616
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.6027 0.5966
Schistosoma mansoni kinase 0.0058 0.4185 0.3905
Plasmodium falciparum basic transcription factor 3b, putative 0.0078 0.6231 1
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.6231 0.605
Schistosoma mansoni tar DNA-binding protein 0.0074 0.5869 0.567
Mycobacterium ulcerans hypothetical protein 0.0025 0.0758 1
Leishmania major basic transcription factor 3a, putative 0.0078 0.6231 0.605
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.9661 0.9658
Loa Loa (eye worm) hypothetical protein 0.0076 0.6027 0.5985
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.4029 0.3741
Schistosoma mansoni hypothetical protein 0.0076 0.6027 0.5836
Schistosoma mansoni tar DNA-binding protein 0.0074 0.5869 0.567
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0758 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0758 0.0313
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Echinococcus multilocularis transcription factor btf3 0.0078 0.6231 0.605
Echinococcus multilocularis apoptotic protease activating factor 1 0.0036 0.1928 0.1539
Brugia malayi hypothetical protein 0.003 0.1237 0.1102
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0111 0.9661 0.9656
Schistosoma mansoni hypothetical protein 0.0035 0.181 0.1415
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.6231 0.605
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Echinococcus granulosus tar DNA binding protein 0.0074 0.5869 0.567
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0758 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Trypanosoma cruzi transcription factor btf3, putative 0.0078 0.6231 0.605
Loa Loa (eye worm) RNA binding protein 0.0074 0.5869 0.5825
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1237 0.1847
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.4029 0.3741
Giardia lamblia Kinase, PLK 0.0114 1 1
Schistosoma mansoni tar DNA-binding protein 0.0074 0.5869 0.567
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0459 0.6057
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.5869 0.5805
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0105 0.139
Loa Loa (eye worm) hypothetical protein 0.0036 0.1928 0.1842
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Loa Loa (eye worm) ICD-1 protein 0.0078 0.6231 0.6191
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1237 0.0815
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0758 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.181 0.1722
Schistosoma mansoni tar DNA-binding protein 0.0074 0.5869 0.567
Entamoeba histolytica transcription factor BTF3, putative 0.0078 0.6231 0.605
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1237 0.0815
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0105 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0758 0.066
Trypanosoma cruzi transcription factor btf3, putative 0.0078 0.6231 0.605
Schistosoma mansoni hypothetical protein 0.0036 0.1928 0.1539
Entamoeba histolytica hypothetical protein 0.0078 0.6231 0.605
Schistosoma mansoni hypothetical protein 0.0035 0.181 0.1415
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 1 1
Echinococcus granulosus apoptotic protease activating factor 1 0.0036 0.1928 0.1539
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.181 0.1415
Loa Loa (eye worm) hypothetical protein 0.003 0.1237 0.1143
Schistosoma mansoni hypothetical protein 0.0035 0.181 0.1415
Toxoplasma gondii NAC domain-containing protein 0.0078 0.6231 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0758 0.066
Schistosoma mansoni serine/threonine protein kinase 0.0114 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0758 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 1 1
Trypanosoma brucei transcription factor BTF3, putative 0.0078 0.6231 0.605
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0459 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 17600 nM Inhibition of recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysis in presence of gamma-[33P]ATP ChEMBL. 23103095

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.

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