Detailed information for compound 234895

Basic information

Technical information
  • TDR Targets ID: 234895
  • Name: 5-bromo-6,7-dichloro-1,4-dihydroquinoxaline-2 ,3-dione
  • MW: 309.932 | Formula: C8H3BrCl2N2O2
  • H donors: 2 H acceptors: 4 LogP: 3.11 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc2c(nc1O)cc(c(c2Br)Cl)Cl
  • InChi: 1S/C8H3BrCl2N2O2/c9-4-5(11)2(10)1-3-6(4)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)
  • InChiKey: TZUFMHIHPVXUGD-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-bromo-6,7-dichloro-1,4-dihydroquinoxaline-2,3-quinone

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) chitinase I 0.0074 0.2393 0.2331
Trichomonas vaginalis CMGC family protein kinase 0.0156 0.7265 1
Brugia malayi Carboxylesterase family protein 0.0131 0.5802 0.5815
Trichomonas vaginalis CMGC family protein kinase 0.0156 0.7265 1
Echinococcus granulosus dual specificity 0.0156 0.7265 0.7324
Brugia malayi hypothetical protein 0.02 0.9919 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.02 0.9919 1
Onchocerca volvulus Putative endochitinase 0.0083 0.2931 0.2052
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0036 0.0081 0.0082
Echinococcus multilocularis serine:threonine protein kinase haspin 0.02 0.9919 1
Loa Loa (eye worm) haspin protein kinase 0.02 0.9919 0.9918
Echinococcus granulosus serine:threonine protein kinase haspin 0.02 0.9919 1
Schistosoma mansoni hypothetical protein 0.02 0.9919 1
Echinococcus multilocularis serine:threonine protein kinase haspin 0.02 0.9919 1
Entamoeba histolytica protein kinase domain containing protein 0.0156 0.7265 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.02 0.9919 1
Echinococcus multilocularis acetylcholinesterase 0.0131 0.5802 0.5849
Echinococcus multilocularis dual specificity 0.0156 0.7265 0.7324
Echinococcus granulosus acetylcholinesterase 0.0131 0.5802 0.5849
Onchocerca volvulus Putative endochitinase 0.0083 0.2931 0.2052
Brugia malayi endochitinase 0.0074 0.2393 0.235
Trichomonas vaginalis CMGC family protein kinase 0.0156 0.7265 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0131 0.5802 0.5849
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0036 0.0081 0.0082
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0118 0.5016 0.5057
Entamoeba histolytica chitinase, putative 0.0074 0.2393 0.3293
Trichomonas vaginalis CMGC family protein kinase 0.0156 0.7265 1
Plasmodium falciparum conserved protein, unknown function 0.0118 0.5016 1
Echinococcus granulosus mitogen activated protein kinase 15 0.0036 0.0081 0.0082
Echinococcus granulosus cyclin dependent kinase 9 0.0036 0.0081 0.0082
Onchocerca volvulus 0.0118 0.5016 1
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0156 0.7265 1
Echinococcus granulosus serine:threonine protein kinase NLK 0.0036 0.0081 0.0082
Brugia malayi Endochitinase 0.0083 0.2931 0.2897
Echinococcus granulosus acetylcholinesterase 0.0131 0.5802 0.5849
Loa Loa (eye worm) haspin protein kinase 0.02 0.9919 0.9918
Schistosoma mansoni serine/threonine protein kinase 0.0036 0.0081 0.0082
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0118 0.5016 0.5016
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0156 0.7265 1
Mycobacterium tuberculosis Possible chitinase 0.0064 0.1735 0.5
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0156 0.7265 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.5016 0.4975
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0156 0.7265 0.7302
Schistosoma mansoni protein kinase 0.0036 0.0081 0.0082
Entamoeba histolytica protein kinase, putative 0.0156 0.7265 1
Echinococcus multilocularis dual specificity 0.0156 0.7265 0.7324
Schistosoma mansoni serine/threonine kinase 0.0036 0.0081 0.0082
Echinococcus granulosus dual specificity 0.0156 0.7265 0.7324
Entamoeba histolytica cell division protein kinase 2, putative 0.0036 0.0081 0.0111
Loa Loa (eye worm) carboxylesterase 0.0131 0.5802 0.5768
Loa Loa (eye worm) cuticular endochitinase 0.0074 0.2393 0.2331
Loa Loa (eye worm) hypothetical protein 0.0064 0.1735 0.1668
Echinococcus multilocularis cyclin dependent kinase 9 0.0036 0.0081 0.0082
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0036 0.0081 0.0082
Entamoeba histolytica protein kinase domain containing protein 0.0036 0.0081 0.0111
Loa Loa (eye worm) acetylcholinesterase 1 0.0131 0.5802 0.5768
Loa Loa (eye worm) hypothetical protein 0.0118 0.5016 0.4975
Loa Loa (eye worm) hypothetical protein 0.0131 0.5802 0.5768
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0156 0.7265 0.7243
Echinococcus granulosus carboxylesterase 5A 0.0131 0.5802 0.5849
Schistosoma mansoni hypothetical protein 0.0118 0.5016 0.5057
Trichomonas vaginalis CMGC family protein kinase 0.0156 0.7265 1
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0118 0.5016 0.5057
Trichomonas vaginalis CMGC family protein kinase 0.0156 0.7265 1
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0156 0.7265 1
Giardia lamblia Kinase, CMGC DYRK 0.0156 0.7265 1
Echinococcus granulosus dual specificity 0.0156 0.7265 0.7324
Leishmania major chitinase 0.0074 0.2393 0.3218
Mycobacterium ulcerans chitinase/cellulase 0.0064 0.1735 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0156 0.7265 0.7324
Brugia malayi GSG2 0.02 0.9919 1
Mycobacterium ulcerans chitinase/cellulase 0.0064 0.1735 0.5
Plasmodium vivax hypothetical protein, conserved 0.0118 0.5016 1
Echinococcus multilocularis acetylcholinesterase 0.0131 0.5802 0.5849
Loa Loa (eye worm) hypothetical protein 0.0131 0.5802 0.5768
Brugia malayi Carboxylesterase family protein 0.0131 0.5802 0.5815
Echinococcus multilocularis dual specificity 0.0156 0.7265 0.7324
Loa Loa (eye worm) microfilarial chitinase 0.0072 0.2273 0.221
Onchocerca volvulus Putative endochitinase 0.0083 0.2931 0.2052
Onchocerca volvulus 0.0118 0.5016 1
Echinococcus multilocularis carboxylesterase 5A 0.0131 0.5802 0.5849
Brugia malayi endochitinase 0.0083 0.2931 0.2897

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.21 uM Electrophysiological assays in Xenopus oocytes expressing cloned NMDA receptor (NR1A/2C) ChEMBL. No reference
Kb (binding) = 0.095 uM Binding affinity towards rat brain NMDA receptor glycine site expressed in Xenopus oocyte ChEMBL. 7473565
Kb (binding) = 0.095 uM Evaluated for antagonistic activity against NMDA receptor glycine sites in rat brain cortical membranes using [3H]-DCKA binding assay ChEMBL. No reference
Kb (binding) = 0.095 uM Binding affinity towards rat brain NMDA receptor glycine site expressed in Xenopus oocyte ChEMBL. 7473565
Kb (binding) = 0.095 uM Evaluated for antagonistic activity against NMDA receptor glycine sites in rat brain cortical membranes using [3H]-DCKA binding assay ChEMBL. No reference
Kb (binding) = 4.11 uM Binding affinity against rat brain Non N-methyl-D-aspartate glutamate receptor glutamate site expressed in Xenopus oocyte ChEMBL. 7473565
Kb (binding) = 4.11 uM Binding affinity against rat brain Non N-methyl-D-aspartate glutamate receptor glutamate site expressed in Xenopus oocyte ChEMBL. 7473565
Selectivity (binding) = 43 Selectivity for glycine site ChEMBL. 7473565

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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