Detailed information for compound 953926

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 478.761 | Formula: C8H5Br4N3O
  • H donors: 1 H acceptors: 3 LogP: 3.13 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCn1nnc2c1c(Br)c(Br)c(c2Br)Br
  • InChi: 1S/C8H5Br4N3O/c9-3-4(10)6(12)8-7(5(3)11)13-14-15(8)1-2-16/h16H,1-2H2
  • InChiKey: QWDBOMATCGXNGX-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 casein kinase 2, alpha 3 polypeptide Starlite/ChEMBL References
Homo sapiens casein kinase 2, alpha prime polypeptide References
Homo sapiens casein kinase 2, alpha 1 polypeptide Starlite/ChEMBL References
Homo sapiens casein kinase 2, beta polypeptide References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania infantum casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania major protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans Casein kinase II, regulatory (beta-prime) subunit Get druggable targets OG5_126846 All targets in OG5_126846
Theileria parva casein kinase II, alpha chain Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma mansoni casein kinase II beta subunit Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium berghei casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium vivax casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma japonicum Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Candida albicans Casein kinase II alpha' subunit Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium falciparum casein kinase II beta chain Get druggable targets OG5_126846 All targets in OG5_126846
Theileria parva casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Theileria parva casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Onchocerca volvulus Casein kinase II subunit beta homolog Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium parvum putative protein kinase CK2 regulatory subunit CK2B1 Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium yoelii protein kinase Ck2-beta Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus granulosus casein kinase ii subunit beta Get druggable targets OG5_126846 All targets in OG5_126846
Brugia malayi Csnk2b protein Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Candida albicans Casein kinase II, regulatory (beta) subunit Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania mexicana protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Toxoplasma gondii casein kinase ii regulatory subunit protein Get druggable targets OG5_126846 All targets in OG5_126846
Toxoplasma gondii ck2 beta subunit Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania donovani Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Entamoeba histolytica casein kinase, putative Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium falciparum casein kinase 2, alpha subunit Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania major casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium yoelii casein kinase ii beta chain Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma brucei Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania donovani casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Cryptosporidium hominis protein kinase Ck2-beta Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium berghei casein kinase 2, alpha subunit Get druggable targets OG5_126901 All targets in OG5_126901
Neospora caninum YOR039Wp-like protein, related Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Brugia malayi Casein kinase II, alpha chain Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Giardia lamblia Casein kinase II beta chain Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma cruzi Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma mansoni protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma congolense casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Entamoeba histolytica casein kinase II regulatory subunit family protein Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium hominis protein kinase domain Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium knowlesi casein kinase 2, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium berghei casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium knowlesi casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma brucei gambiense casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma japonicum ko:K03115 casein kinase 2, beta polypeptide, putative Get druggable targets OG5_126846 All targets in OG5_126846
Candida albicans Casein kinase II, regulatory (beta-prime) subunit Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium parvum putative casein kinase II regulatory subunit; besthit Pf 23508244 Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania mexicana casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Neospora caninum hypothetical protein Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma japonicum ko:K03115 casein kinase 2, beta polypeptide, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium vivax unspecified product Get druggable targets OG5_126901 All targets in OG5_126901
Loa Loa (eye worm) CMGC/CK2 protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Onchocerca volvulus Casein kinase II subunit beta homolog Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Echinococcus multilocularis casein kinase ii subunit beta Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma brucei Casein kinase II Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans Casein kinase II, regulatory (beta) subunit Get druggable targets OG5_126846 All targets in OG5_126846
Babesia bovis casein kinase II beta 4 subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Babesia bovis protein kinase CK2 regulatory subunit CK2B1 Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium vivax casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Leishmania braziliensis protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Toxoplasma gondii CMGC kinase, CK2 family Get druggable targets OG5_126901 All targets in OG5_126901
Babesia bovis casein kinase II, alpha chain (CK II) Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium yoelii Protein kinase domain Get druggable targets OG5_126901 All targets in OG5_126901
Giardia lamblia Kinase, CMGC CK2 Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium falciparum casein kinase II beta chain Get druggable targets OG5_126846 All targets in OG5_126846
Entamoeba histolytica casein kinase II regulatory subunit family protein Get druggable targets OG5_126846 All targets in OG5_126846
Candida albicans Casein kinase II alpha' subunit Get druggable targets OG5_126901 All targets in OG5_126901
Loa Loa (eye worm) Csnk2b protein Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Entamoeba histolytica casein kinase II regulatory subunit family protein Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma cruzi casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
Echinococcus multilocularis casein kinase ii subunit alpha Get druggable targets OG5_126901 All targets in OG5_126901
Schistosoma japonicum ko:K03097 casein kinase 2, alpha polypeptide, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma brucei gambiense protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Plasmodium vivax casein kinase 2, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
Trypanosoma cruzi Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Echinococcus granulosus casein kinase ii subunit alpha Get druggable targets OG5_126901 All targets in OG5_126901
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Plasmodium knowlesi casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126901 All targets in OG5_126901
Candida albicans likely protein kinase similar to S. cerevisiae CKA1 (YIL035C) alpha subunit of protein kinase 2, aka casein kinase II Get druggable targets OG5_126901 All targets in OG5_126901
Neospora caninum casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium parvum casein kinase II, alpha subunit, putative Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania infantum protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126901 All targets in OG5_126901
Leishmania braziliensis casein kinase II, putative Get druggable targets OG5_126901 All targets in OG5_126901
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi casein kinase II, alpha chain, putative casein kinase 2, alpha 3 polypeptide 391 aa 316 aa 50.6 %
Trypanosoma cruzi casein kinase II, alpha chain, putative casein kinase 2, alpha prime polypeptide 350 aa 319 aa 50.2 %
Trypanosoma cruzi casein kinase II, alpha chain, putative casein kinase 2, alpha 1 polypeptide 391 aa 316 aa 51.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0044 0.0615 0.5
Brugia malayi MH2 domain containing protein 0.024 0.9811 0.9811
Schistosoma mansoni tar DNA-binding protein 0.0188 0.7402 0.7402
Trichomonas vaginalis CMGC family protein kinase 0.0244 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.317 0.317
Brugia malayi RNA recognition motif domain containing protein 0.0188 0.7402 0.7402
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0044 0.0615 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0244 1 1
Loa Loa (eye worm) RNA binding protein 0.0188 0.7402 0.7402
Brugia malayi TAR-binding protein 0.0188 0.7402 0.7402
Trichomonas vaginalis CMGC family protein kinase 0.0244 1 1
Loa Loa (eye worm) TAR-binding protein 0.0188 0.7402 0.7402
Entamoeba histolytica protein kinase domain containing protein 0.0244 1 1
Schistosoma mansoni tar DNA-binding protein 0.0188 0.7402 0.7402
Toxoplasma gondii CMGC kinase, CK2 family 0.0244 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.317 0.317
Echinococcus multilocularis casein kinase ii subunit beta 0.0044 0.0615 0.0615
Trichomonas vaginalis CMGC family protein kinase 0.0244 1 1
Echinococcus granulosus casein kinase ii subunit beta 0.0044 0.0615 0.0615
Leishmania major casein kinase II, putative 0.0244 1 1
Schistosoma mansoni tar DNA-binding protein 0.0188 0.7402 0.7402
Echinococcus multilocularis tar DNA binding protein 0.0188 0.7402 0.7402
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0188 0.7402 0.7402
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0244 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.024 0.9811 0.9811
Trichomonas vaginalis CMGC family protein kinase 0.0244 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.1703 0.1703
Schistosoma mansoni casein kinase II beta subunit 0.0044 0.0615 0.0615
Schistosoma mansoni tar DNA-binding protein 0.0188 0.7402 0.7402
Trichomonas vaginalis CMGC family protein kinase 0.0244 1 1
Trypanosoma brucei Casein kinase II 0.0244 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.317 0.317
Schistosoma mansoni tar DNA-binding protein 0.0188 0.7402 0.7402
Giardia lamblia Kinase, CMGC CK2 0.0244 1 1
Schistosoma mansoni hypothetical protein 0.0067 0.1703 0.1703
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0244 1 1
Loa Loa (eye worm) Csnk2b protein 0.0044 0.0615 0.0615
Trypanosoma cruzi casein kinase II, putative 0.0244 1 1
Echinococcus granulosus casein kinase ii subunit alpha 0.0244 1 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.317 0.317
Brugia malayi Csnk2b protein 0.0044 0.0615 0.0615
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.1703 0.1703
Plasmodium vivax unspecified product 0.0244 1 1
Plasmodium falciparum casein kinase 2, alpha subunit 0.0244 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0244 1 1
Echinococcus multilocularis casein kinase ii subunit alpha 0.0244 1 1
Schistosoma mansoni protein kinase 0.0244 1 1
Brugia malayi RNA binding protein 0.0188 0.7402 0.7402
Loa Loa (eye worm) MH2 domain-containing protein 0.024 0.9811 0.9811
Entamoeba histolytica casein kinase, putative 0.0244 1 1
Echinococcus granulosus tar DNA binding protein 0.0188 0.7402 0.7402

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.61 uM Inhibition of human recombinant casein kinase 2 subunit alpha2beta2 expressed in Escherichia coli BL21 (DE3) assessed as [32P] incorporation by liquid scintillation counting ChEMBL. 19168362
IC50 (binding) = 9.25 uM Inhibition of human recombinant casein kinase 2 subunit alpha expressed in Escherichia coli BL21 (DE3) assessed as [32P] incorporation by liquid scintillation counting ChEMBL. 19168362

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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