Detailed information for compound 1450573

Basic information

Technical information
  • TDR Targets ID: 1450573
  • Name: [2-[(2,6-dibromo-4-nitrophenyl)amino]-2-oxoet hyl] 1-oxidopyridin-1-ium-3-carboxylate
  • MW: 475.046 | Formula: C14H9Br2N3O6
  • H donors: 1 H acceptors: 5 LogP: 1.83 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(Br)cc(cc1Br)[N+](=O)[O-])COC(=O)c1ccc[n+](c1)[O-]
  • InChi: 1S/C14H9Br2N3O6/c15-10-4-9(19(23)24)5-11(16)13(10)17-12(20)7-25-14(21)8-2-1-3-18(22)6-8/h1-6H,7H2,(H,17,20)
  • InChiKey: CDJUOYCXIPSIMX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(2,6-dibromo-4-nitro-phenyl)amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-3-carboxylate
  • 1-oxido-3-pyridin-1-iumcarboxylic acid [2-[(2,6-dibromo-4-nitrophenyl)amino]-2-oxoethyl] ester
  • 1-oxidopyridin-1-ium-3-carboxylic acid [2-[(2,6-dibromo-4-nitro-phenyl)amino]-2-keto-ethyl] ester
  • T0520-3267
  • MLS001006915
  • SMR000384394

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Schistosoma mansoni hypothetical protein 0.0188 0.1163 0.2303
Brugia malayi hypothetical protein 0.0078 0.0292 0.0292
Brugia malayi MH1 domain containing protein 0.0049 0.0063 0.0063
Schistosoma mansoni transcription factor LCR-F1 0.0106 0.0514 0.0399
Echinococcus granulosus muscleblind protein 0.018 0.1101 0.2907
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0397 0.2813 0.5
Loa Loa (eye worm) hypothetical protein 0.0595 0.438 0.438
Schistosoma mansoni tar DNA-binding protein 0.052 0.3789 1
Entamoeba histolytica hypothetical protein 0.0106 0.0514 1
Schistosoma mansoni hypothetical protein 0.0106 0.0514 0.0399
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0106 0.0514 0.1356
Brugia malayi MH1 domain containing protein 0.0049 0.0063 0.0063
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.026 0.1731 0.4744
Brugia malayi MH2 domain containing protein 0.0089 0.0377 0.0377
Loa Loa (eye worm) hypothetical protein 0.0407 0.2891 0.2891
Brugia malayi RNA recognition motif domain containing protein 0.052 0.3789 0.3789
Schistosoma mansoni tar DNA-binding protein 0.052 0.3789 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0089 0.0377 0.0996
Brugia malayi Muscleblind-like protein 0.018 0.1101 0.1101
Echinococcus multilocularis smad 0.0089 0.0377 0.0996
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0188 0.1163 0.3069
Echinococcus multilocularis muscleblind protein 0.018 0.1101 0.2907
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0188 0.1163 0.3069
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0397 0.2813 1
Loa Loa (eye worm) RNA binding protein 0.052 0.3789 0.3789
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.026 0.1731 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0397 0.2813 0.5
Loa Loa (eye worm) hypothetical protein 0.0397 0.2813 0.2813
Brugia malayi RNA binding protein 0.052 0.3789 0.3789
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0595 0.438 0.438
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0397 0.2813 0.7424
Brugia malayi Smad1 0.0089 0.0377 0.0377
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0397 0.2813 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.052 0.3789 0.3789
Echinococcus multilocularis Smad4 0.0089 0.0377 0.0996
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0397 0.2813 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0089 0.0377 0.0996
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.0292 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0137 0.0755 0.2685
Loa Loa (eye worm) hypothetical protein 0.0078 0.0292 0.0292
Echinococcus granulosus GPCR family 2 0.0188 0.1163 0.3069
Loa Loa (eye worm) TAR-binding protein 0.052 0.3789 0.3789
Plasmodium vivax ataxin-2 like protein, putative 0.0078 0.0292 0.1037
Echinococcus multilocularis muscleblind protein 1 0.018 0.1101 0.2907
Loa Loa (eye worm) MH2 domain-containing protein 0.1305 1 1
Echinococcus granulosus tar DNA binding protein 0.052 0.3789 1
Echinococcus multilocularis GPCR, family 2 0.0188 0.1163 0.3069
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0188 0.1163 0.3069
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0188 0.1163 0.1163
Echinococcus granulosus smad 0.0089 0.0377 0.0996
Entamoeba histolytica hypothetical protein 0.0106 0.0514 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0089 0.0377 0.0377
Brugia malayi Calcitonin receptor-like protein seb-1 0.0595 0.438 0.438
Schistosoma mansoni hypothetical protein 0.0188 0.1163 0.2303
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0397 0.2813 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0397 0.2813 0.7139
Schistosoma mansoni tar DNA-binding protein 0.052 0.3789 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0397 0.2813 1
Brugia malayi TAR-binding protein 0.052 0.3789 0.3789
Entamoeba histolytica hypothetical protein 0.0106 0.0514 1
Brugia malayi latrophilin 2 splice variant baaae 0.0407 0.2891 0.2891
Loa Loa (eye worm) nuclear factor I 0.0049 0.0063 0.0063
Brugia malayi hypothetical protein 0.005 0.0073 0.0073
Echinococcus granulosus Smad4 0.0089 0.0377 0.0996
Loa Loa (eye worm) transcription factor SMAD2 0.1305 1 1
Brugia malayi Probable ClpP-like protease 0.0397 0.2813 0.2813
Schistosoma mansoni hypothetical protein 0.0188 0.1163 0.2303
Brugia malayi Latrophilin receptor protein 2 0.0188 0.1163 0.1163
Echinococcus multilocularis tar DNA binding protein 0.052 0.3789 1
Brugia malayi MH2 domain containing protein 0.0089 0.0377 0.0377
Schistosoma mansoni hypothetical protein 0.0188 0.1163 0.2303
Echinococcus granulosus peptidase Clp S14 family 0.026 0.1731 0.4569
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0397 0.2813 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0078 0.0292 0.5
Loa Loa (eye worm) Smad1 0.0089 0.0377 0.0377
Loa Loa (eye worm) hypothetical protein 0.018 0.1101 0.1101
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.026 0.1731 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0063 0.0063
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0397 0.2813 0.5
Schistosoma mansoni hypothetical protein 0.0407 0.2891 0.7368
Plasmodium falciparum ataxin-2 like protein, putative 0.0078 0.0292 0.1037
Brugia malayi MH1 domain containing protein 0.0089 0.0377 0.0377
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0106 0.0514 0.1356
Loa Loa (eye worm) hypothetical protein 0.018 0.1101 0.1101
Toxoplasma gondii hypothetical protein 0.0137 0.0755 0.2685
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0397 0.2813 1
Schistosoma mansoni tar DNA-binding protein 0.052 0.3789 1
Leishmania major hypothetical protein, conserved 0.0078 0.0292 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.1163 0.1163
Echinococcus granulosus mothers against decapentaplegic 5 0.0089 0.0377 0.0996
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0397 0.2813 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0595 0.438 0.438
Loa Loa (eye worm) latrophilin receptor protein 2 0.0188 0.1163 0.1163
Schistosoma mansoni tar DNA-binding protein 0.052 0.3789 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0089 0.0377 0.0377
Entamoeba histolytica hypothetical protein 0.0106 0.0514 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0188 0.1163 0.3069
Brugia malayi hypothetical protein 0.0106 0.0514 0.0514
Brugia malayi MH1 domain containing protein 0.0089 0.0377 0.0377
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0089 0.0377 0.0996
Toxoplasma gondii LsmAD domain-containing protein 0.0078 0.0292 0.1037
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0397 0.2813 0.7424
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0137 0.0755 0.2685
Echinococcus multilocularis peptidase Clp (S14 family) 0.026 0.1731 0.4569
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.0292 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0078 0.0292 0.1037

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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