Detailed information for compound 1756001

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 451.336 | Formula: C22H15BrN2O2S
  • H donors: 2 H acceptors: 2 LogP: 6.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)c1c([nH]c(c1C(=O)c1cccs1)N)C(=O)c1ccccc1
  • InChi: 1S/C22H15BrN2O2S/c23-15-10-8-13(9-11-15)17-18(21(27)16-7-4-12-28-16)22(24)25-19(17)20(26)14-5-2-1-3-6-14/h1-12,25H,24H2
  • InChiKey: VGPMJUBRVCXIDS-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
Echinococcus multilocularis 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
Loa Loa (eye worm) PLK/PLK1 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 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
Trypanosoma congolense 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
Trypanosoma brucei gambiense polo-like protein kinase,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
Schistosoma japonicum ko:K06631 polo-like kinase 1, 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
Entamoeba histolytica serine/threonine 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
Echinococcus granulosus 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
Leishmania braziliensis 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
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
Schistosoma mansoni serine/threonine 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
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative 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
Onchocerca volvulus 0.0215 0.1002 1
Schistosoma mansoni tyrosine kinase 0.0167 0.0593 0.0568
Brugia malayi Carboxylesterase family protein 0.0215 0.1002 0.0978
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.0142 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0142 0.0116
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0142 0.5
Brugia malayi hypothetical protein 0.0215 0.1002 0.0978
Echinococcus multilocularis acetylcholinesterase 0.1275 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0215 0.1002 0.0978
Loa Loa (eye worm) carboxylesterase 0.1275 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0215 0.1002 0.1002
Brugia malayi Carboxylesterase family protein 0.0215 0.1002 0.0978
Loa Loa (eye worm) hypothetical protein 0.1275 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0215 0.1002 0.5
Schistosoma mansoni tyrosine kinase 0.0167 0.0593 0.0568
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0142 0.0116
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0169 0.0609 0.0583
Loa Loa (eye worm) carboxylesterase 0.0215 0.1002 0.0978
Echinococcus multilocularis insulin receptor 0.0101 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0215 0.1002 0.0978
Echinococcus multilocularis neuroligin 0.0215 0.1002 0.1002
Schistosoma mansoni tyrosine kinase 0.0167 0.0593 0.0568
Echinococcus multilocularis para nitrobenzyl esterase 0.0215 0.1002 0.1002
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0215 0.1002 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0215 0.1002 0.0978
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0101 0.0027 0.0027
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0215 0.1002 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0215 0.1002 1
Schistosoma mansoni gliotactin 0.0215 0.1002 0.0978
Loa Loa (eye worm) hypothetical protein 0.0215 0.1002 0.0978
Loa Loa (eye worm) acetylcholinesterase 1 0.1275 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0142 0.0116
Loa Loa (eye worm) hypothetical protein 0.1275 1 1
Echinococcus granulosus para nitrobenzyl esterase 0.0215 0.1002 0.0978
Echinococcus granulosus acetylcholinesterase 0.1275 1 1
Onchocerca volvulus 0.0215 0.1002 1
Loa Loa (eye worm) hypothetical protein 0.0215 0.1002 0.0978
Onchocerca volvulus 0.0215 0.1002 1
Brugia malayi Carboxylesterase family protein 0.0215 0.1002 0.0978
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0142 0.0116
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0215 0.1002 0.0978
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1275 1 1
Echinococcus granulosus BC026374 protein S09 family 0.0215 0.1002 0.0978
Brugia malayi Carboxylesterase family protein 0.0215 0.1002 0.0978
Echinococcus multilocularis epidermal growth factor receptor 0.0169 0.0609 0.0609
Brugia malayi Carboxylesterase family protein 0.1275 1 1
Brugia malayi Furin-like cysteine rich region family protein 0.0315 0.1845 0.1823
Echinococcus granulosus epidermal growth factor receptor 0.0315 0.1845 0.1823
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0142 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0215 0.1002 0.0978
Onchocerca volvulus 0.0215 0.1002 1
Echinococcus multilocularis epidermal growth factor receptor 0.0315 0.1845 0.1845
Loa Loa (eye worm) carboxylesterase 0.0215 0.1002 0.0978
Loa Loa (eye worm) hypothetical protein 0.0215 0.1002 0.0978
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0215 0.1002 0.0978
Echinococcus multilocularis acetylcholinesterase 0.1275 1 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0215 0.1002 0.1002
Echinococcus granulosus acetylcholinesterase 0.1275 1 1
Loa Loa (eye worm) hypothetical protein 0.0215 0.1002 0.0978
Mycobacterium ulcerans carboxylesterase, LipT 0.0215 0.1002 0.5
Schistosoma mansoni acetylcholinesterase 0.0215 0.1002 0.0978
Onchocerca volvulus 0.0215 0.1002 1
Echinococcus granulosus neuroligin 0.0215 0.1002 0.0978
Schistosoma mansoni tyrosine kinase 0.0169 0.0609 0.0583
Schistosoma mansoni tyrosine kinase 0.0169 0.0609 0.0583
Schistosoma mansoni tyrosine kinase 0.0315 0.1845 0.1823
Loa Loa (eye worm) TK/EGFR protein kinase 0.0315 0.1845 0.1823
Loa Loa (eye worm) hypothetical protein 0.0215 0.1002 0.0978
Schistosoma mansoni neuroligin 3 (S09 family) 0.0215 0.1002 0.0978
Trypanosoma brucei polo-like protein kinase 0.0114 0.0142 0.5
Echinococcus multilocularis carboxylesterase 5A 0.1275 1 1
Echinococcus granulosus carboxylesterase 5A 0.1275 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0142 0.0142
Giardia lamblia Kinase, PLK 0.0114 0.0142 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0169 0.0609 0.0583
Loa Loa (eye worm) hypothetical protein 0.0215 0.1002 0.0978
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0215 0.1002 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0142 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.6213 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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