Detailed information for compound 417281

Basic information

Technical information
  • TDR Targets ID: 417281
  • Name: 4,5,6,7-tetrabromo-2-[(4-nitrophenyl)methylsu lfanyl]-1H-benzimidazole
  • MW: 600.905 | Formula: C14H7Br4N3O2S
  • H donors: 1 H acceptors: 3 LogP: 6.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: Brc1c(Br)c(Br)c(c2c1nc([nH]2)SCc1ccc(cc1)[N+](=O)[O-])Br
  • InChi: 1S/C14H7Br4N3O2S/c15-8-9(16)11(18)13-12(10(8)17)19-14(20-13)24-5-6-1-3-7(4-2-6)21(22)23/h1-4H,5H2,(H,19,20)
  • InChiKey: GKNBNYJJUYGSDD-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4,5,6,7-tetrabromo-2-[(4-nitrophenyl)methylthio]-1H-benzimidazole
  • 4,5,6,7-tetrabromo-2-[(4-nitrobenzyl)thio]-1H-benzimidazole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens casein kinase 2, beta polypeptide Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana protein kinase ck2 regulatory subunit, putative 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
Plasmodium vivax casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Brugia malayi Csnk2b protein 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
Entamoeba histolytica casein kinase II regulatory subunit family protein 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
Trichomonas vaginalis casein kinase II beta chain, putative 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
Theileria parva 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
Candida albicans Casein kinase II, regulatory (beta-prime) subunit 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
Plasmodium knowlesi 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
Leishmania major protein kinase ck2 regulatory subunit, putative 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 japonicum Casein kinase II subunit beta, putative Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma mansoni casein kinase II beta subunit Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma congolense Casein kinase II subunit beta, 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
Echinococcus granulosus casein kinase ii subunit beta 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
Toxoplasma gondii ck2 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
Cryptosporidium parvum putative protein kinase CK2 regulatory subunit CK2B1 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
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
Plasmodium falciparum 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
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
Candida albicans Casein kinase II, regulatory (beta) subunit 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
Neospora caninum 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 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) 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
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-prime) 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
Neospora caninum YOR039Wp-like protein, related 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 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
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
Babesia bovis protein kinase CK2 regulatory subunit CK2B1 Get druggable targets OG5_126846 All targets in OG5_126846
Trypanosoma brucei gambiense protein kinase ck2 regulatory subunit, putative Get druggable targets OG5_126846 All targets in OG5_126846
Schistosoma japonicum ko:K03115 casein kinase 2, beta polypeptide, 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
Theileria parva casein kinase II beta chain, putative Get druggable targets OG5_126846 All targets in OG5_126846
Cryptosporidium hominis protein kinase Ck2-beta 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
Onchocerca volvulus Casein kinase II subunit beta homolog Get druggable targets OG5_126846 All targets in OG5_126846
Loa Loa (eye worm) 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
Leishmania infantum protein kinase ck2 regulatory subunit, putative 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
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

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
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0268 0.0195
Entamoeba histolytica DNA repair and recombination protein, putative 0.0506 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0506 1 1
Loa Loa (eye worm) Csnk2b protein 0.0044 0.0135 0.1085
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0073 0.0755 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0506 1 1
Giardia lamblia DNA polymerase alpha subunit A 0.0045 0.0154 0.0019
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0506 1 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0294 0.5479 0.5445
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0506 1 1
Plasmodium vivax casein kinase II beta chain, putative 0.0044 0.0135 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0506 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0506 1 1
Echinococcus granulosus DNA polymerase subunit gamma 0.0096 0.1244 0.1124
Giardia lamblia Rrm3p helicase 0.0506 1 1
Brugia malayi DNA polymerase I family protein 0.0096 0.1244 1
Brugia malayi Csnk2b protein 0.0044 0.0135 0.1085
Brugia malayi DNA polymerase alpha catalytic subunit 0.0043 0.0113 0.0912
Echinococcus multilocularis hypothetical protein 0.0096 0.1244 0.1124
Toxoplasma gondii hypothetical protein 0.0047 0.0204 1
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0053 0.0328 0.0196
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0044 0.0135 0.0061
Schistosoma mansoni DNA polymerase gamma 0.0096 0.1244 0.1124
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.2166 0.2108
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0053 0.0328 0.0196
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0506 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0294 0.5479 0.5445
Schistosoma mansoni hypothetical protein 0.0506 1 1
Mycobacterium ulcerans hypothetical protein 0.0155 0.2503 0.5
Leishmania major mitochondrial DNA polymerase beta 0.0294 0.5479 0.5417
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0506 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.2503 0.5
Toxoplasma gondii ck2 beta subunit 0.0044 0.0135 0.2366
Loa Loa (eye worm) hypothetical protein 0.0073 0.0755 0.6066
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0294 0.5479 0.5445
Loa Loa (eye worm) hypothetical protein 0.0096 0.1244 1
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0053 0.0328 0.0196
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0506 1 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.2166 0.2059
Plasmodium vivax casein kinase II beta chain, putative 0.0044 0.0135 1
Toxoplasma gondii casein kinase ii regulatory subunit protein 0.0044 0.0135 0.2366
Plasmodium falciparum casein kinase II beta chain 0.0044 0.0135 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0506 1 1
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0044 0.0135 0.0061
Schistosoma mansoni hypothetical protein 0.0081 0.0914 0.079
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.2166 0.2108
Trypanosoma brucei Casein kinase II subunit beta, putative 0.0044 0.0135 0.0061
Trypanosoma brucei RNA helicase, putative 0.0081 0.0914 0.0846
Plasmodium falciparum casein kinase II beta chain 0.0044 0.0135 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.48 uM Inhibition of CK2 ChEMBL. 15566294
IC50 (binding) = 3.48 uM Inhibition of CK2 ChEMBL. 15566294
Ki (binding) 0 Inhibition of CK2 ChEMBL. 15566294

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.