Detailed information for compound 25730

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 448.344 | Formula: C16H15Cl2N3O4S2
  • H donors: 1 H acceptors: 4 LogP: 3.16 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)CCN2S(=O)(=O)NS(=O)(=O)N1CCc2c1ccc(c2)Cl
  • InChi: 1S/C16H15Cl2N3O4S2/c17-13-1-3-15-11(9-13)5-7-20(15)26(22,23)19-27(24,25)21-8-6-12-10-14(18)2-4-16(12)21/h1-4,9-10,19H,5-8H2
  • InChiKey: UXEQWMGBNPOYCU-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
Loa Loa (eye worm) hypothetical protein 0.0652 0.0501 0.0527
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0652 0.0501 0.0527
Brugia malayi hypothetical protein 0.0344 0.0054 0.0056
Loa Loa (eye worm) hypothetical protein 0.0652 0.0501 0.0527
Brugia malayi nuclear hormone receptor 0.6837 0.9499 1
Loa Loa (eye worm) hypothetical protein 0.0344 0.0054 0.0056
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0652 0.0501 0.072
Brugia malayi nuclear receptor NHR-88 0.0652 0.0501 0.0527
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0652 0.0501 0.0527
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0652 0.0501 0.0527
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0652 0.0501 0.0776
Onchocerca volvulus Bile acid receptor homolog 0.0652 0.0501 0.0501
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0344 0.0054 0.0077
Echinococcus granulosus FTZ F1 alpha 0.0652 0.0501 0.072
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0652 0.0501 0.072
Loa Loa (eye worm) hypothetical protein 0.0344 0.0054 0.0056
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0652 0.0501 0.072
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0652 0.0501 0.0776
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0652 0.0501 0.0527
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0652 0.0501 0.072
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0652 0.0501 0.0527
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0652 0.0501 0.072
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0344 0.0054 0.0077
Brugia malayi Nuclear hormone receptor-like 1 0.0344 0.0054 0.0056
Brugia malayi Steroid receptor seven-up type 2 0.0652 0.0501 0.0527
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0652 0.0501 0.0527
Schistosoma mansoni nuclear hormone receptor 0.0652 0.0501 0.072
Brugia malayi hypothetical protein 0.0344 0.0054 0.0056
Brugia malayi ecdysteroid receptor 0.0652 0.0501 0.0527
Echinococcus multilocularis FTZ F1 alpha 0.0652 0.0501 0.0776
Schistosoma mansoni RAR-like nuclear receptor 0.0652 0.0501 0.072
Loa Loa (eye worm) steroid hormone receptor 0.0652 0.0501 0.0527
Brugia malayi Nuclear hormone receptor-like 1 0.0652 0.0501 0.0527
Echinococcus granulosus retinoic acid receptor rxr beta a 0.5089 0.6956 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0652 0.0501 0.0776
Loa Loa (eye worm) hypothetical protein 0.0344 0.0054 0.0056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0652 0.0501 0.0527
Loa Loa (eye worm) hypothetical protein 0.0344 0.0054 0.0056
Onchocerca volvulus Protein ultraspiracle homolog 0.0652 0.0501 0.0501
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0652 0.0501 0.0527
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0652 0.0501 0.072
Loa Loa (eye worm) hypothetical protein 0.0652 0.0501 0.0527
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0652 0.0501 0.0527
Schistosoma mansoni thyroid hormone receptor 0.0652 0.0501 0.072
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0652 0.0501 0.0527
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0652 0.0501 0.072
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0652 0.0501 0.072
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0652 0.0501 0.072
Loa Loa (eye worm) hypothetical protein 0.0652 0.0501 0.0527
Loa Loa (eye worm) hypothetical protein 0.653 0.9052 0.9529
Echinococcus granulosus ecdysone induced protein 78C 0.0652 0.0501 0.072
Loa Loa (eye worm) hypothetical protein 0.0652 0.0501 0.0527
Schistosoma mansoni retinoic acid receptor RXR 0.5089 0.6956 1
Loa Loa (eye worm) hypothetical protein 0.0652 0.0501 0.0527
Echinococcus multilocularis ecdysone induced protein 78C 0.0652 0.0501 0.0776
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0652 0.0501 0.072
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0652 0.0501 0.0776
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0344 0.0054 0.0077
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0652 0.0501 0.0527
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0652 0.0501 0.0527
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0652 0.0501 0.0527
Schistosoma mansoni thyroid hormone receptor 0.0652 0.0501 0.072
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0344 0.0054 0.0056
Loa Loa (eye worm) hypothetical protein 0.0344 0.0054 0.0056
Echinococcus multilocularis thyroid hormone receptor alpha 0.0652 0.0501 0.0776
Brugia malayi steroid hormone receptor 0.0652 0.0501 0.0527
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0652 0.0501 0.0527
Schistosoma mansoni steroid hormone receptor ad4bp 0.0652 0.0501 0.072
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0652 0.0501 0.0527
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0652 0.0501 0.072
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0652 0.0501 0.0776
Brugia malayi Nuclear hormone receptor-like 1 0.0344 0.0054 0.0056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0652 0.0501 0.0527
Onchocerca volvulus 0.0652 0.0501 0.0501
Brugia malayi photoreceptor-specific nuclear receptor 0.0652 0.0501 0.0527
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0652 0.0501 0.072
Loa Loa (eye worm) hypothetical protein 0.0652 0.0501 0.0527
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0344 0.0054 0.0083
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0652 0.0501 0.0776
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0652 0.0501 0.0527
Loa Loa (eye worm) hypothetical protein 0.0652 0.0501 0.0527
Loa Loa (eye worm) nuclear receptor nhr-7B 0.6837 0.9499 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0652 0.0501 0.0527
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.4745 0.6455 1
Schistosoma mansoni coup transcription factor 0.0652 0.0501 0.072
Brugia malayi nuclear receptor RXR 0.0344 0.0054 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0652 0.0501 0.0527
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0652 0.0501 0.0527
Brugia malayi nuclear hormone receptor 0.0652 0.0501 0.0527

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 13 % Percent inhibition of SRS-A induced contraction minus percent inhibition of 25 mM KCl induced contractions at a conc of 5(microM) ChEMBL. 7143363

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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