Detailed information for compound 1810063

Basic information

Technical information
  • TDR Targets ID: 1810063
  • Name: [2-(benzoyl)-4-(4-bromo-3-nitrobenzoyl)oxyphe nyl] 4-bromo-3-nitrobenzoate
  • MW: 670.216 | Formula: C27H14Br2N2O9
  • H donors: 0 H acceptors: 7 LogP: 7.13 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccc(c(c1)N(=O)=O)Br)Oc1ccc(c(c1)C(=O)c1ccccc1)OC(=O)c1ccc(c(c1)N(=O)=O)Br
  • InChi: 1S/C27H14Br2N2O9/c28-20-9-6-16(12-22(20)30(35)36)26(33)39-18-8-11-24(19(14-18)25(32)15-4-2-1-3-5-15)40-27(34)17-7-10-21(29)23(13-17)31(37)38/h1-14H
  • InChiKey: HHEAKHAQGNBWFY-UHFFFAOYSA-N  

Network

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Synonyms

  • [2-(benzoyl)-4-(4-bromo-3-nitro-benzoyl)oxy-phenyl] 4-bromo-3-nitro-benzoate
  • 4-bromo-3-nitrobenzoic acid [4-[(4-bromo-3-nitrophenyl)-oxomethoxy]-2-(oxo-phenylmethyl)phenyl] ester
  • 4-bromo-3-nitro-benzoic acid [2-(benzoyl)-4-(4-bromo-3-nitro-benzoyl)oxy-phenyl] ester
  • [4-(4-bromo-3-nitro-phenyl)carbonyloxy-2-phenylcarbonyl-phenyl] 4-bromo-3-nitro-benzoate
  • CBChromo1_000279
  • Probes2_000326
  • CBDivE_010692

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
Trichomonas vaginalis tubulin epsilon chain, putative 0.0582 0.5165 0.5165
Plasmodium vivax tubulin beta chain, putative 0.0808 1 1
Leishmania major beta tubulin 0.0808 1 1
Leishmania major beta tubulin 0.0808 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0582 0.5165 0.4098
Leishmania major beta tubulin 0.0808 1 1
Echinococcus multilocularis hypothetical protein 0.0582 0.5165 0.4098
Trypanosoma brucei beta tubulin 0.0808 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0397 0.1201 0.1201
Echinococcus granulosus tubulin alpha 3 chain 0.0582 0.5165 0.4098
Echinococcus multilocularis Tubulin beta 2C chain 0.0808 1 1
Echinococcus granulosus tubulin subunit TubB 0.0582 0.5165 0.4098
Brugia malayi Tubulin alpha chain 0.0582 0.5165 0.4098
Trypanosoma cruzi alpha tubulin, putative 0.0582 0.5165 0.4098
Leishmania major beta tubulin 0.0808 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0808 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0582 0.5165 0.4098
Toxoplasma gondii alpha tubulin TUBA1 0.0582 0.5165 0.4098
Leishmania major beta tubulin 0.0808 1 1
Brugia malayi Tubulin alpha-2 chain 0.0582 0.5165 0.4098
Schistosoma mansoni alpha tubulin 0.0582 0.5165 0.4098
Loa Loa (eye worm) tubulin beta-2A chain 0.0808 1 1
Leishmania major beta tubulin 0.0808 1 1
Echinococcus granulosus tubulin beta 4A class IVa 0.0808 1 1
Schistosoma mansoni alpha tubulin 0.0582 0.5165 0.4098
Echinococcus granulosus Tubulin alpha 1 chain 0.0582 0.5165 0.4098
Schistosoma mansoni tubulin subunit beta 0.0808 1 1
Echinococcus multilocularis tubulin alpha chain 0.0582 0.5165 0.4098
Leishmania major alpha tubulin 0.0582 0.5165 0.4098
Trypanosoma brucei alpha tubulin 0.0582 0.5165 0.4098
Schistosoma mansoni tubulin subunit beta 0.0808 1 1
Leishmania major alpha tubulin 0.0582 0.5165 0.4098
Echinococcus granulosus tubulin alpha 1C chain 0.0582 0.5165 0.4098
Echinococcus multilocularis tubulin alpha 1C chain 0.0582 0.5165 0.4098
Leishmania major beta tubulin 0.0808 1 1
Echinococcus multilocularis beta tubulin 0.0808 1 1
Echinococcus multilocularis tubulin alpha chain 0.0582 0.5165 0.4098
Echinococcus multilocularis tubulin alpha chain 0.0582 0.5165 0.4098
Trichomonas vaginalis tubulin epsilon chain, putative 0.0582 0.5165 0.5165
Echinococcus multilocularis Tubulin beta 2C chain 0.0808 1 1
Trypanosoma brucei beta tubulin 0.0808 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0808 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0582 0.5165 0.4098
Leishmania major beta tubulin 0.0808 1 1
Entamoeba histolytica tubulin family protein 0.0808 1 1
Leishmania major alpha tubulin 0.0582 0.5165 0.4098
Trichomonas vaginalis tubulin beta chain, putative 0.0582 0.5165 0.5165
Loa Loa (eye worm) alpha-tubulin 0.0582 0.5165 0.5165
Trypanosoma cruzi beta tubulin, putative 0.0808 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0582 0.5165 0.4098
Leishmania major alpha tubulin 0.0582 0.5165 0.4098
Echinococcus multilocularis tubulin beta 1 chain 0.0808 1 1
Leishmania major beta tubulin 0.0808 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0808 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0808 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0808 1 1
Toxoplasma gondii beta tubulin 0.0808 1 1
Loa Loa (eye worm) BEN-1 protein 0.0808 1 1
Loa Loa (eye worm) tubulin beta chain 0.0808 1 1
Leishmania major beta tubulin 0.0808 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0582 0.5165 0.5165
Plasmodium falciparum alpha tubulin 2 0.0582 0.5165 0.4098
Trichomonas vaginalis tubulin, putative 0.0808 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0397 0.1201 0.1201
Plasmodium vivax tubulin alpha chain, putative 0.0582 0.5165 0.4098
Brugia malayi alpha-tubulin 0.0582 0.5165 0.4098
Trichomonas vaginalis tubulin gamma chain, putative 0.0808 1 1
Loa Loa (eye worm) BEN-1 protein 0.0808 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0582 0.5165 0.4098
Leishmania major beta tubulin 0.0808 1 1
Leishmania major beta tubulin 0.0808 1 1
Leishmania major alpha tubulin 0.0582 0.5165 0.4098
Echinococcus granulosus Tubulin beta 2C chain 0.0808 1 1
Entamoeba histolytica tubulin alpha-1 chain 0.0582 0.5165 0.4098
Echinococcus multilocularis tubulin alpha 3 chain 0.0582 0.5165 0.4098
Entamoeba histolytica tubulin alpha chain, putative 0.0582 0.5165 0.4098
Leishmania major alpha tubulin 0.0582 0.5165 0.4098
Leishmania major alpha tubulin 0.0582 0.5165 0.4098
Schistosoma mansoni tubulin subunit alpha 0.0582 0.5165 0.4098
Leishmania major beta tubulin 0.0808 1 1
Trypanosoma brucei beta tubulin 0.0808 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0808 1 1
Trypanosoma brucei alpha tubulin 0.0582 0.5165 0.4098
Loa Loa (eye worm) tubulin alpha-2 chain 0.0582 0.5165 0.5165
Echinococcus granulosus tubulin beta 1 chain 0.0808 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0426 0.1808 0.1808
Schistosoma mansoni tubulin subunit beta 0.0808 1 1
Schistosoma mansoni alpha tubulin 0.0582 0.5165 0.4098
Trichomonas vaginalis tubulin beta chain, putative 0.0582 0.5165 0.5165
Loa Loa (eye worm) tubulin alpha chain 0.0582 0.5165 0.5165
Leishmania major beta tubulin 0.0808 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0582 0.5165 0.5165
Toxoplasma gondii beta-1 tubulin, putative 0.0808 1 1
Brugia malayi tubulin alpha chain - mouse 0.0582 0.5165 0.4098
Plasmodium falciparum tubulin beta chain 0.0808 1 1
Leishmania major beta tubulin 0.0808 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0582 0.5165 0.4098
Echinococcus granulosus beta tubulin 0.0808 1 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0397 0.1201 0.1201
Giardia lamblia Alpha-tubulin 0.0582 0.5165 0.4098
Schistosoma mansoni tubulin subunit alpha 0.0582 0.5165 0.4098
Trypanosoma brucei alpha tubulin 0.0582 0.5165 0.4098
Trypanosoma brucei beta tubulin 0.0808 1 1
Echinococcus granulosus tubulin alpha chain 0.0582 0.5165 0.4098
Leishmania major beta tubulin 0.0808 1 1
Echinococcus multilocularis tubulin alpha chain 0.0582 0.5165 0.4098
Brugia malayi Tubulin alpha-2 chain 0.0582 0.5165 0.4098
Toxoplasma gondii alpha-tubulin I, putative 0.0582 0.5165 0.4098
Echinococcus multilocularis tubulin subunit beta 0.0808 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0426 0.1808 0.1808
Trichomonas vaginalis tubulin epsilon chain, putative 0.0808 1 1
Schistosoma mansoni tubulin subunit beta 0.0808 1 1
Giardia lamblia Alpha-tubulin 0.0582 0.5165 0.4098
Leishmania major alpha tubulin 0.0582 0.5165 0.4098
Leishmania major alpha tubulin 0.0582 0.5165 0.4098
Giardia lamblia Beta tubulin 0.0808 1 1
Echinococcus granulosus tubulin alpha chain 0.0582 0.5165 0.4098
Echinococcus granulosus tubulin alpha chain 0.0582 0.5165 0.4098
Echinococcus granulosus Tubulin beta 2C chain 0.0808 1 1
Leishmania major alpha tubulin 0.0582 0.5165 0.4098
Trypanosoma brucei alpha tubulin 0.0582 0.5165 0.4098
Brugia malayi beta-tubulin, identical 0.0808 1 1
Echinococcus granulosus beta tubulin 0.0808 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0808 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0582 0.5165 0.4098
Leishmania major alpha tubulin 0.0582 0.5165 0.4098
Echinococcus granulosus tubulin subunit beta 0.0808 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0426 0.1808 0.1808
Trichomonas vaginalis tubulin alpha chain, putative 0.0808 1 1
Loa Loa (eye worm) hypothetical protein 0.0397 0.1201 0.1201
Echinococcus granulosus alpha tubulin 0.0582 0.5165 0.4098
Schistosoma mansoni tubulin subunit beta 0.0808 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0808 1 1
Echinococcus multilocularis tubulin subunit TubB 0.0582 0.5165 0.4098
Leishmania major beta tubulin 0.0808 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0582 0.5165 0.5165
Leishmania major alpha tubulin 0.0582 0.5165 0.4098
Giardia lamblia Beta tubulin 0.0808 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0808 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0582 0.5165 0.4098
Trichomonas vaginalis tubulin beta chain, putative 0.0582 0.5165 0.5165
Loa Loa (eye worm) hypothetical protein 0.0582 0.5165 0.5165
Entamoeba histolytica tubulin family protein 0.0808 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0808 1 1
Plasmodium falciparum alpha tubulin 1 0.0582 0.5165 0.4098
Loa Loa (eye worm) beta-tubulin 0.0808 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0582 0.5165 0.4098
Loa Loa (eye worm) tubulin alpha 2 0.0397 0.1201 0.1201
Echinococcus multilocularis Tubulin beta 2C chain 0.0808 1 1
Schistosoma mansoni tubulin subunit alpha 0.0582 0.5165 0.4098
Loa Loa (eye worm) alpha-tubulin 0.0582 0.5165 0.5165
Trichomonas vaginalis tubulin beta chain, putative 0.0582 0.5165 0.5165
Echinococcus granulosus Tubulin alpha 1 chain 0.0582 0.5165 0.4098
Giardia lamblia Beta tubulin 0.0808 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0582 0.5165 0.5165
Echinococcus multilocularis Tubulin alpha 1 chain 0.0582 0.5165 0.4098
Schistosoma mansoni tubulin subunit beta 0.0808 1 1
Leishmania major beta tubulin 0.0808 1 1
Echinococcus granulosus tubulin alpha chain 0.0582 0.5165 0.4098
Brugia malayi tubulin alpha-2 chain 0.0582 0.5165 0.4098
Echinococcus granulosus tubulin alpha chain 0.0582 0.5165 0.4098
Echinococcus multilocularis beta tubulin 0.0808 1 1
Toxoplasma gondii beta-tubulin, putative 0.0808 1 1
Echinococcus multilocularis tubulin alpha chain 0.0582 0.5165 0.4098
Loa Loa (eye worm) tubulin gamma chain 0.0426 0.1808 0.1808
Echinococcus multilocularis Tubulin alpha 1 chain 0.0582 0.5165 0.4098

Activities

No activities found for this compound.

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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