Detailed information for compound 837069

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.379 | Formula: C21H18N2O4
  • H donors: 1 H acceptors: 3 LogP: 2.66 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccn(c1=O)OCc1ccccc1)Nc1ccc(cc1)C(=O)C
  • InChi: 1S/C21H18N2O4/c1-15(24)17-9-11-18(12-10-17)22-20(25)19-8-5-13-23(21(19)26)27-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,25)
  • InChiKey: FYOINNIDGFUVRH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 r2r3-MYB transcription factor, putative 0.0009 0.49 1
Echinococcus multilocularis FTZ F1 alpha 0.001 0.6116 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.6116 1
Loa Loa (eye worm) hypothetical protein 0.001 0.6116 0.6116
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.6116 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.6116 1
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.6116 0.6116
Echinococcus granulosus FTZ F1 alpha 0.001 0.6116 1
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0009 0.4844 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 1 1
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0009 0.4844 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.6116 0.6116
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.6116 0.6116
Brugia malayi Steroid receptor seven-up type 2 0.001 0.6116 0.6116
Brugia malayi Cytochrome P450 family protein 0.0013 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.6116 0.6116
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.6116 0.6116
Leishmania major cytochrome p450-like protein 0.0013 1 0.5
Schistosoma mansoni thyroid hormone receptor 0.001 0.6116 1
Loa Loa (eye worm) hypothetical protein 0.001 0.6116 0.6116
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.6116 0.6116
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.6116 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.6116 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.6116 0.6116
Loa Loa (eye worm) hypothetical protein 0.001 0.6116 0.6116
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.6116 1
Trypanosoma cruzi cytochrome P450, putative 0.0013 1 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.6116 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.6116 1
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.6116 0.6116
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.6116 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.6116 0.6116
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.6116 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.6116 0.6116
Loa Loa (eye worm) steroid hormone receptor 0.001 0.6116 0.6116
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0009 0.49 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.6116 0.6116
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.6116 0.6116
Brugia malayi steroid hormone receptor 0.001 0.6116 0.6116
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.6116 0.5
Schistosoma mansoni nuclear hormone receptor 0.001 0.6116 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.6116 0.6116
Trichomonas vaginalis MYB, putative 0.0009 0.49 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.6116 0.6116
Giardia lamblia Myb 1-like protein 0.0009 0.4898 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.6116 1
Loa Loa (eye worm) hypothetical protein 0.001 0.6116 0.6116
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.6116 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.6116 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.6116 0.6116
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.6116 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.6116 1
Loa Loa (eye worm) hypothetical protein 0.001 0.6116 0.6116
Loa Loa (eye worm) CYP4Cod1 0.0013 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.6116 0.6116
Brugia malayi nuclear hormone receptor 0.001 0.6116 0.6116
Brugia malayi nuclear receptor NHR-88 0.001 0.6116 0.6116
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.6116 0.6116
Trypanosoma cruzi cytochrome P450, putative 0.0013 1 0.5
Onchocerca volvulus 0.001 0.6116 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.6116 0.6116
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0013 1 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.6116 1
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0009 0.4844 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.6116 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.6116 1
Loa Loa (eye worm) hypothetical protein 0.001 0.6116 0.6116
Onchocerca volvulus Bile acid receptor homolog 0.001 0.6116 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.6116 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.5152 0.5152
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0009 0.4844 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.6116 1
Schistosoma mansoni coup transcription factor 0.001 0.6116 1
Brugia malayi ecdysteroid receptor 0.001 0.6116 0.6116
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.6116 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.6116 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.6116 0.6116
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.6116 1
Trypanosoma brucei cytochrome P450, putative 0.0013 1 0.5
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.0009 0.4898 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.6116 1
Loa Loa (eye worm) hypothetical protein 0.001 0.6116 0.6116
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.6116 0.6116
Schistosoma mansoni thyroid hormone receptor 0.001 0.6116 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.6116 0.6116
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0009 0.4844 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.6116 0.6116
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.6116 1
Loa Loa (eye worm) hypothetical protein 0.001 0.6116 0.6116
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.6116 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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