Detailed information for compound 891336

Basic information

Technical information
  • TDR Targets ID: 891336
  • Name: N-[(Z)-3-(2-hydroxyethylamino)-1-(3-nitrophen yl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxami de
  • MW: 361.372 | Formula: C16H15N3O5S
  • H donors: 3 H acceptors: 5 LogP: 1.83 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNC(=O)C(=Cc1cccc(c1)[N+](=O)[O-])NC(=O)c1cccs1
  • InChi: 1S/C16H15N3O5S/c20-7-6-17-15(21)13(18-16(22)14-5-2-8-25-14)10-11-3-1-4-12(9-11)19(23)24/h1-5,8-10,20H,6-7H2,(H,17,21)(H,18,22)/b13-10-
  • InChiKey: ZDOJAEKBUANJNN-RAXLEYEMSA-N  

Network

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Synonyms

  • N-[(Z)-1-(2-hydroxyethylcarbamoyl)-2-(3-nitrophenyl)vinyl]thiophene-2-carboxamide
  • N-[(Z)-1-[(2-hydroxyethylamino)-oxomethyl]-2-(3-nitrophenyl)vinyl]-2-thiophenecarboxamide
  • N-[(Z)-3-(2-hydroxyethylamino)-1-(3-nitrophenyl)-3-oxo-prop-1-en-2-yl]thiophene-2-carboxamide
  • BIM-0015178.P001
  • ZINC02824673

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 nuclear receptor 2DBD gamma 0.0074 0.3106 0.3074
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0055 0.158 0.154
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0038 0.0286 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0074 0.3106 0.3074
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0074 0.3106 0.3074
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0074 0.3106 0.3074
Loa Loa (eye worm) hypothetical protein 0.0074 0.3106 0.3074
Loa Loa (eye worm) steroid hormone receptor 0.0074 0.3106 0.3074
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0034 0 0.5
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.007 0.2735 0.27
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0074 0.3106 0.3074
Loa Loa (eye worm) hypothetical protein 0.0074 0.3106 0.3074
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0039 0.0375 0.0329
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0074 0.3106 0.3074
Schistosoma mansoni coup transcription factor 0.0074 0.3106 0.3074
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0074 0.3106 0.3074
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0074 0.3106 0.3074
Brugia malayi hypothetical protein 0.0039 0.0375 0.0329
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0034 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0074 0.3106 0.3074
Loa Loa (eye worm) hypothetical protein 0.0039 0.0375 0.0329
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0074 0.3106 0.3074
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0038 0.0286 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0074 0.3106 0.3074
Schistosoma mansoni thyroid hormone receptor 0.0074 0.3106 0.3074
Brugia malayi nuclear hormone receptor 0.0074 0.3106 0.3074
Brugia malayi steroid hormone receptor 0.0074 0.3106 0.3074
Schistosoma mansoni retinoic acid receptor RXR 0.0074 0.3106 0.3074
Loa Loa (eye worm) hypothetical protein 0.0039 0.0375 0.0329
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0039 0.0375 0.0329
Brugia malayi ecdysteroid receptor 0.0074 0.3106 0.3074
Brugia malayi Steroid receptor seven-up type 2 0.0074 0.3106 0.3074
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0074 0.3106 0.3074
Echinococcus granulosus Dipeptidyl peptidase 9 0.0055 0.158 0.154
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0163 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0074 0.3106 0.3074
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0055 0.158 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0055 0.158 0.5
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.007 0.2735 0.27
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0163 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0074 0.3106 0.3074
Echinococcus granulosus FTZ F1 alpha 0.0074 0.3106 0.3074
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0074 0.3106 0.3074
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0074 0.3106 0.3074
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0074 0.3106 0.3074
Echinococcus multilocularis FTZ F1 alpha 0.0074 0.3106 0.3074
Brugia malayi hypothetical protein 0.0042 0.0575 0.053
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0074 0.3106 0.3074
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0074 0.3106 0.3074
Schistosoma mansoni thyroid hormone receptor 0.0074 0.3106 0.3074
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0163 1 1
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0055 0.158 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0074 0.3106 0.3074
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0055 0.158 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0074 0.3106 0.3074
Loa Loa (eye worm) hypothetical protein 0.0039 0.0375 0.0329
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.0375 0.0329
Onchocerca volvulus Bile acid receptor homolog 0.0074 0.3106 0.3074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0074 0.3106 0.3074
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0074 0.3106 0.3074
Brugia malayi hypothetical protein 0.0039 0.0375 0.0329
Loa Loa (eye worm) prolyl oligopeptidase 0.0163 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.3106 0.3074
Brugia malayi nuclear receptor NHR-88 0.0074 0.3106 0.3074
Schistosoma mansoni nuclear hormone receptor 0.0074 0.3106 0.3074
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0074 0.3106 0.3074
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0074 0.3106 0.3074
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0039 0.0375 0.0329
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0074 0.3106 0.3074
Echinococcus multilocularis thyroid hormone receptor alpha 0.0074 0.3106 0.3074
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.0375 0.0329
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0055 0.158 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0039 0.0375 0.0329
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0286 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0575 0.053
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0039 0.0375 0.0329
Brugia malayi prolyl oligopeptidase family protein 0.0055 0.158 0.154
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0074 0.3106 0.3074
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0074 0.3106 0.3074
Loa Loa (eye worm) hypothetical protein 0.0074 0.3106 0.3074
Onchocerca volvulus 0.0074 0.3106 0.3074
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0074 0.3106 0.3074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0074 0.3106 0.3074
Echinococcus multilocularis ecdysone induced protein 78C 0.0074 0.3106 0.3074
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0074 0.3106 0.3074
Brugia malayi photoreceptor-specific nuclear receptor 0.0074 0.3106 0.3074
Loa Loa (eye worm) hypothetical protein 0.0074 0.3106 0.3074
Loa Loa (eye worm) hypothetical protein 0.0074 0.3106 0.3074
Brugia malayi nuclear receptor RXR 0.0039 0.0375 0.0329
Schistosoma mansoni RAR-like nuclear receptor 0.0074 0.3106 0.3074
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0074 0.3106 0.3074
Echinococcus granulosus ecdysone induced protein 78C 0.0074 0.3106 0.3074
Loa Loa (eye worm) hypothetical protein 0.0074 0.3106 0.3074
Loa Loa (eye worm) hypothetical protein 0.0039 0.0375 0.0329
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0074 0.3106 0.3074
Loa Loa (eye worm) hypothetical protein 0.007 0.2735 0.27
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0074 0.3106 0.3074
Schistosoma mansoni steroid hormone receptor ad4bp 0.0074 0.3106 0.3074
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0055 0.158 0.154
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0038 0.0286 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0375 0.0329
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0074 0.3106 0.3074
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0074 0.3106 0.3074
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0055 0.158 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.3106 0.3074
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0074 0.3106 0.3074
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0074 0.3106 0.3074
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0074 0.3106 0.3074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0074 0.3106 0.3074
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0163 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0074 0.3106 0.3074
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0074 0.3106 0.3074

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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