Detailed information for compound 1719676

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 324.291 | Formula: C16H12N4O4
  • H donors: 4 H acceptors: 4 LogP: 2.09 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccc(cc1O)Nc1nnc(c(=O)[nH]1)c1ccccc1
  • InChi: 1S/C16H12N4O4/c21-12-8-10(6-7-11(12)15(23)24)17-16-18-14(22)13(19-20-16)9-4-2-1-3-5-9/h1-8,21H,(H,23,24)(H2,17,18,20,22)
  • InChiKey: FPEPFJNBOVOGAA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 granulosus FTZ F1 nuclear receptor protein 0.004 0.6863 0.6863
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.6863 1
Loa Loa (eye worm) hypothetical protein 0.004 0.6863 0.7736
Schistosoma mansoni coup transcription factor 0.004 0.6863 0.6863
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.004 0.6863 0.6863
Brugia malayi hypothetical protein 0.0021 0.0735 0.1071
Brugia malayi hypothetical protein 0.0021 0.0735 0.1071
Schistosoma mansoni nuclear hormone receptor 0.004 0.6863 0.6863
Loa Loa (eye worm) steroid hormone receptor 0.004 0.6863 0.7736
Onchocerca volvulus 0.004 0.6863 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.6863 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.004 0.6863 0.7736
Echinococcus multilocularis calcium activated potassium channel variant 0.0046 0.8871 0.8871
Echinococcus granulosus calcium activated potassium channel variant 0.0046 0.8871 0.8871
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.004 0.6863 0.7736
Loa Loa (eye worm) hypothetical protein 0.004 0.6863 0.7736
Onchocerca volvulus Protein ultraspiracle homolog 0.004 0.6863 1
Brugia malayi Steroid receptor seven-up type 2 0.004 0.6863 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.004 0.6863 0.7736
Schistosoma mansoni thyroid hormone receptor 0.004 0.6863 0.6863
Loa Loa (eye worm) hypothetical protein 0.004 0.6863 0.7736
Loa Loa (eye worm) hypothetical protein 0.004 0.6863 0.7736
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.6863 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.4584 0.5167
Echinococcus granulosus potassium large conductance calcium activated 0.0049 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.004 0.6863 0.7736
Schistosoma mansoni calcium-activated potassium channel 0.0049 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.004 0.6863 0.6863
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0046 0.8871 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.004 0.6863 0.7736
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.004 0.6863 0.6863
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0021 0.0735 0.0828
Schistosoma mansoni RAR-like nuclear receptor 0.004 0.6863 0.6863
Brugia malayi Nuclear hormone receptor family member nhr-49 0.004 0.6863 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.004 0.6863 0.6863
Loa Loa (eye worm) hypothetical protein 0.004 0.6863 0.7736
Brugia malayi nuclear hormone receptor 0.004 0.6863 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.004 0.6863 0.6863
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.004 0.6863 0.6863
Onchocerca volvulus Bile acid receptor homolog 0.004 0.6863 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.6863 1
Schistosoma mansoni thyroid hormone receptor 0.004 0.6863 0.6863
Schistosoma mansoni steroid hormone receptor ad4bp 0.004 0.6863 0.6863
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0735 0.0735
Brugia malayi Nuclear hormone receptor family member nhr-31 0.004 0.6863 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0021 0.0735 0.0735
Schistosoma mansoni retinoic acid receptor RXR 0.004 0.6863 0.6863
Echinococcus multilocularis potassium large conductance calcium activated 0.0049 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.004 0.6863 0.6863
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.004 0.6863 0.6863
Loa Loa (eye worm) hypothetical protein 0.0021 0.0735 0.0828
Brugia malayi nuclear receptor RXR 0.0021 0.0735 0.1071
Echinococcus granulosus FTZ F1 alpha 0.004 0.6863 0.6863
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.6863 0.6863
Loa Loa (eye worm) hypothetical protein 0.0021 0.0735 0.0828
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.004 0.6863 0.6863
Echinococcus granulosus retinoic acid receptor rxr beta a 0.004 0.6863 0.6863
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0735 0.1071
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0735 0.1071
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.004 0.6863 0.6863
Echinococcus multilocularis FTZ F1 alpha 0.004 0.6863 0.6863
Brugia malayi ecdysteroid receptor 0.004 0.6863 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.004 0.6863 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.6863 0.6863
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.6863 0.6863
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.004 0.6863 0.6863
Loa Loa (eye worm) hypothetical protein 0.004 0.6863 0.7736
Schistosoma mansoni calcium-activated potassium channel 0.0046 0.8871 0.8871
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.6863 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.004 0.6863 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.004 0.6863 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.6863 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.004 0.6863 1
Echinococcus multilocularis ecdysone induced protein 78C 0.004 0.6863 0.6863
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.6863 0.6863
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 0.6863 0.6863
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.004 0.6863 0.6863
Echinococcus multilocularis calcium activated potassium channel 0.0049 1 1
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0033 0.4584 0.6679
Brugia malayi steroid hormone receptor 0.004 0.6863 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0735 0.0828
Brugia malayi nuclear receptor NHR-88 0.004 0.6863 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0735 0.0828
Echinococcus granulosus ecdysone induced protein 78C 0.004 0.6863 0.6863
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.004 0.6863 1
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.6863 1
Loa Loa (eye worm) hypothetical protein 0.004 0.6863 0.7736
Echinococcus multilocularis thyroid hormone receptor alpha 0.004 0.6863 0.6863
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.004 0.6863 0.7736
Loa Loa (eye worm) hypothetical protein 0.0021 0.0735 0.0828
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0021 0.0735 0.0735
Loa Loa (eye worm) MaxiK calcium-activated potassium channel 0.0033 0.4584 0.5167
Loa Loa (eye worm) hypothetical protein 0.004 0.6863 0.7736
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.004 0.6863 0.7736
Brugia malayi Nuclear hormone receptor family member nhr-1 0.004 0.6863 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0021 0.0735 0.0735
Brugia malayi photoreceptor-specific nuclear receptor 0.004 0.6863 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.