Detailed information for compound 285408

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 272.278 | Formula: C10H12N2O5S
  • H donors: 2 H acceptors: 6 LogP: 0.36 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(nc1)C(=O)O)NS(=O)(=O)C(C)C
  • InChi: 1S/C10H12N2O5S/c1-6(2)18(16,17)12-9(13)7-3-4-8(10(14)15)11-5-7/h3-6H,1-2H3,(H,12,13)(H,14,15)
  • InChiKey: UPSUFODJEPLBTI-UHFFFAOYSA-N  

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
Schistosoma mansoni thyroid hormone receptor 0.0895 0.4455 1
Schistosoma mansoni retinoic acid receptor RXR 0.0895 0.4455 1
Loa Loa (eye worm) hypothetical protein 0.0895 0.4455 0.4455
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0895 0.4455 0.5951
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0895 0.4455 0.4455
Brugia malayi Steroid receptor seven-up type 2 0.0895 0.4455 0.4455
Brugia malayi nuclear receptor NHR-88 0.0895 0.4455 0.4455
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0895 0.4455 0.4455
Schistosoma mansoni thyroid hormone receptor 0.0895 0.4455 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0895 0.4455 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0895 0.4455 0.4455
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.1182 0.7486 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0895 0.4455 0.4455
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0895 0.4455 0.5
Loa Loa (eye worm) hypothetical protein 0.142 1 1
Brugia malayi nuclear hormone receptor 0.0895 0.4455 0.4455
Echinococcus multilocularis ecdysone induced protein 78C 0.0895 0.4455 0.5951
Onchocerca volvulus 0.0895 0.4455 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0895 0.4455 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0895 0.4455 1
Echinococcus multilocularis FTZ F1 alpha 0.0895 0.4455 0.5951
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0895 0.4455 0.4455
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0895 0.4455 0.4455
Schistosoma mansoni coup transcription factor 0.0895 0.4455 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0895 0.4455 0.5951
Loa Loa (eye worm) hypothetical protein 0.0895 0.4455 0.4455
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0895 0.4455 0.5951
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0895 0.4455 0.4455
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0895 0.4455 0.4455
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0895 0.4455 0.5951
Loa Loa (eye worm) hypothetical protein 0.0895 0.4455 0.4455
Loa Loa (eye worm) steroid hormone receptor 0.0895 0.4455 0.4455
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0895 0.4455 1
Echinococcus granulosus ecdysone induced protein 78C 0.0895 0.4455 0.5951
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0895 0.4455 0.4455
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0895 0.4455 0.4455
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0895 0.4455 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0895 0.4455 0.5951
Schistosoma mansoni RAR-like nuclear receptor 0.0895 0.4455 1
Loa Loa (eye worm) hypothetical protein 0.0895 0.4455 0.4455
Echinococcus granulosus FTZ F1 alpha 0.0895 0.4455 0.5951
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0895 0.4455 0.5951
Loa Loa (eye worm) hypothetical protein 0.0895 0.4455 0.4455
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0895 0.4455 0.4455
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0895 0.4455 0.5951
Onchocerca volvulus Protein ultraspiracle homolog 0.0895 0.4455 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0895 0.4455 0.4455
Loa Loa (eye worm) hypothetical protein 0.0895 0.4455 0.4455
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0895 0.4455 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0895 0.4455 0.4455
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0895 0.4455 0.4455
Onchocerca volvulus Bile acid receptor homolog 0.0895 0.4455 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0895 0.4455 0.5951
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0895 0.4455 0.4455
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0895 0.4455 0.5951
Echinococcus multilocularis thyroid hormone receptor alpha 0.0895 0.4455 0.5951
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0895 0.4455 0.5951
Brugia malayi steroid hormone receptor 0.0895 0.4455 0.4455
Schistosoma mansoni nuclear hormone receptor 0.0895 0.4455 1
Loa Loa (eye worm) hypothetical protein 0.0895 0.4455 0.4455
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0895 0.4455 0.4455
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0895 0.4455 0.4455
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0895 0.4455 0.4455
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0895 0.4455 0.4455
Brugia malayi Nuclear hormone receptor-like 1 0.0895 0.4455 0.4455
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0895 0.4455 0.5951
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0895 0.4455 0.5951
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0895 0.4455 0.5951
Brugia malayi ecdysteroid receptor 0.0895 0.4455 0.4455
Loa Loa (eye worm) hypothetical protein 0.0895 0.4455 0.4455
Brugia malayi photoreceptor-specific nuclear receptor 0.0895 0.4455 0.4455
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.1182 0.7486 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0895 0.4455 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0895 0.4455 0.4455

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.6 uM Inhibition of prolyl 4-hydroxylase ChEMBL. 1312598

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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