Detailed information for compound 880192

Basic information

Technical information
  • TDR Targets ID: 880192
  • Name: [2-[(4-ethoxyphenyl)amino]-2-oxoethyl] 2-brom o-3,4,5-trimethoxybenzoate
  • MW: 468.295 | Formula: C20H22BrNO7
  • H donors: 1 H acceptors: 2 LogP: 3.62 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)COC(=O)c1cc(OC)c(c(c1Br)OC)OC
  • InChi: 1S/C20H22BrNO7/c1-5-28-13-8-6-12(7-9-13)22-16(23)11-29-20(24)14-10-15(25-2)18(26-3)19(27-4)17(14)21/h6-10H,5,11H2,1-4H3,(H,22,23)
  • InChiKey: LNLLEOOLQRCDTE-UHFFFAOYSA-N  

Network

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Synonyms

  • [2-[(4-ethoxyphenyl)amino]-2-oxo-ethyl] 2-bromo-3,4,5-trimethoxy-benzoate
  • 2-bromo-3,4,5-trimethoxybenzoic acid [2-[(4-ethoxyphenyl)amino]-2-oxoethyl] ester
  • 2-bromo-3,4,5-trimethoxy-benzoic acid [2-[(4-ethoxyphenyl)amino]-2-keto-ethyl] ester
  • ST5200207
  • ZINC00952101

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
Plasmodium falciparum peptidase, putative 0.0402 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1034 0.2792 0.2872
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0632 0.1018 0.1309
Echinococcus granulosus prolyl endopeptidase 0.1107 0.3112 0.3112
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.1436 0.4565 1
Plasmodium vivax hypothetical protein, conserved 0.0402 0 0.5
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.2164 0.7776 1
Brugia malayi prolyl oligopeptidase family protein 0.1107 0.3112 0.3202
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0402 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1107 0.3112 0.3202
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.2164 0.7776 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.2604 0.972 1
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.1107 0.3112 0.3098
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0705 0.1339 1
Brugia malayi prolyl oligopeptidase family protein 0.2164 0.7776 0.8
Trichomonas vaginalis conserved hypothetical protein 0.0402 0 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0402 0 0.5
Trypanosoma cruzi oligopeptidase b 0.0632 0.1018 0.1309
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0402 0 0.5
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.2164 0.7776 1
Trypanosoma cruzi oligopeptidase b 0.0632 0.1018 0.1309
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.2604 0.972 0.972
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.2604 0.972 0.972
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.2667 1 1
Brugia malayi prolyl oligopeptidase family protein 0.2604 0.972 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1107 0.3112 0.3112
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0632 0.1018 0.5
Echinococcus multilocularis Dipeptidyl peptidase 9 0.2164 0.7776 0.7776
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.2164 0.7776 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.2164 0.7776 0.7776
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.2164 0.7776 0.7776
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0402 0 0.5
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0632 0.1018 0.1309
Loa Loa (eye worm) hypothetical protein 0.1129 0.3212 0.3304
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0402 0 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.2164 0.7776 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1107 0.3112 0.3112
Entamoeba histolytica prolyl oligopeptidase family protein 0.0402 0 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0402 0 0.5
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0632 0.1018 0.5
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.2604 0.972 0.972
Echinococcus multilocularis prolyl endopeptidase 0.1107 0.3112 0.3112
Trypanosoma cruzi prolyl endopeptidase 0.1107 0.3112 0.4002
Trypanosoma brucei prolyl endopeptidase 0.1107 0.3112 0.4002
Giardia lamblia Alanyl dipeptidyl peptidase 0.0402 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0402 0 0.5
Trypanosoma brucei oligopeptidase b 0.0632 0.1018 0.1309
Toxoplasma gondii prolyl endopeptidase 0.1107 0.3112 0.6818
Giardia lamblia Alanyl dipeptidyl peptidase 0.0402 0 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.2604 0.972 1
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0632 0.1018 0.1309
Trypanosoma brucei prolyl oligopeptidase, putative 0.0632 0.1018 0.1309
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.2667 1 1
Brugia malayi hypothetical protein 0.1034 0.2792 0.2872

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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