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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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