Detailed information for compound 660838

Basic information

Technical information
  • TDR Targets ID: 660838
  • Name: (4-ethoxycarbonylphenyl)methyl 4-bromo-3-nitr obenzoate
  • MW: 408.2 | Formula: C17H14BrNO6
  • H donors: 0 H acceptors: 4 LogP: 4.01 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)COC(=O)c1ccc(c(c1)[N+](=O)[O-])Br
  • InChi: 1S/C17H14BrNO6/c1-2-24-16(20)12-5-3-11(4-6-12)10-25-17(21)13-7-8-14(18)15(9-13)19(22)23/h3-9H,2,10H2,1H3
  • InChiKey: QDSWHWUDNHZQKB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4-ethoxycarbonylphenyl)methyl 4-bromo-3-nitro-benzoate
  • 4-bromo-3-nitrobenzoic acid (4-ethoxycarbonylphenyl)methyl ester
  • 4-bromo-3-nitro-benzoic acid (4-carbethoxybenzyl) ester
  • ZINC01121104

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
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.6447 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0088 0.2376 1
Echinococcus multilocularis acetylcholinesterase 0.0154 0.522 0.8082
Brugia malayi Probable ClpP-like protease 0.0088 0.2376 0.2712
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0057 0.1081 0.5
Loa Loa (eye worm) carboxylesterase 0.0154 0.522 0.6033
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0088 0.2376 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.2376 0.5
Loa Loa (eye worm) hypothetical protein 0.0088 0.2376 0.2712
Onchocerca volvulus 0.0106 0.3146 0.311
Brugia malayi Carboxylesterase family protein 0.0154 0.522 0.6033
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0356 0.0353
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0088 0.2376 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0356 0.5
Trypanosoma brucei glucosidase, putative 0.0041 0.0356 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0088 0.2376 0.3685
Loa Loa (eye worm) hypothetical protein 0.0154 0.522 0.6033
Echinococcus granulosus peptidase Clp S14 family 0.0057 0.1081 0.1677
Echinococcus granulosus carboxylesterase 5A 0.0154 0.522 0.8098
Loa Loa (eye worm) acetylcholinesterase 1 0.0154 0.522 0.6033
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.2376 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0088 0.2376 0.5
Trichomonas vaginalis set domain proteins, putative 0.0266 1 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0356 0.0474
Echinococcus multilocularis acetylcholinesterase 0.0154 0.522 0.8082
Schistosoma mansoni alpha glucosidase 0.0041 0.0356 0.0571
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0053 0.0082
Schistosoma mansoni peptidase Clp (S14 family) 0.0088 0.2376 0.438
Schistosoma mansoni alpha-glucosidase 0.0157 0.5357 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0233 0.8618 1
Echinococcus granulosus acetylcholinesterase 0.0154 0.522 0.8098
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0356 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.2376 0.5
Echinococcus multilocularis peptidase Clp (S14 family) 0.0057 0.1081 0.1609
Brugia malayi Carboxylesterase family protein 0.0154 0.522 0.6033
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.6447 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0057 0.1081 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.2376 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.2376 0.5
Loa Loa (eye worm) hypothetical protein 0.0154 0.522 0.6033
Echinococcus granulosus acetylcholinesterase 0.0154 0.522 0.8098
Brugia malayi Pre-SET motif family protein 0.0233 0.8618 1
Schistosoma mansoni alpha-glucosidase 0.0157 0.5357 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.6447 0.7465
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0356 0.0353
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.6447 0.7465
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0356 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0356 0.1303
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0088 0.2376 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0356 0.0551
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0356 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0183 0.6447 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0088 0.2376 0.3633
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0154 0.522 0.9743
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0356 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0154 0.522 0.8082
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.2376 1

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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