Detailed information for compound 1575176

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.332 | Formula: C13H11Cl2NO3S3
  • H donors: 1 H acceptors: 3 LogP: 4.04 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1sccc1SCc1ccc(c(c1)Cl)Cl)NS(=O)(=O)C
  • InChi: 1S/C13H11Cl2NO3S3/c1-22(18,19)16-13(17)12-11(4-5-20-12)21-7-8-2-3-9(14)10(15)6-8/h2-6H,7H2,1H3,(H,16,17)
  • InChiKey: WUCGCEYWGIIVMD-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein tyrosine phosphatase, receptor type, G Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta Get druggable targets OG5_130306 All targets in OG5_130306
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_130306 All targets in OG5_130306
Schistosoma japonicum Tyrosine-protein phosphatase 99A precursor, putative Get druggable targets OG5_130306 All targets in OG5_130306
Schistosoma mansoni receptor protein tyrosine phosphatase Get druggable targets OG5_130306 All targets in OG5_130306
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta Get druggable targets OG5_130306 All targets in OG5_130306

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 0.0141 0.9334 1
Echinococcus granulosus ecdysone induced protein 78C 0.0141 0.9334 0.9334
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0141 0.9334 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0075 0.1 0.1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0141 0.9334 0.9334
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0075 0.1 0.1
Loa Loa (eye worm) hypothetical protein 0.0141 0.9334 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0141 0.9334 1
Brugia malayi hypothetical protein 0.0075 0.1 0.1071
Brugia malayi Steroid receptor seven-up type 2 0.0141 0.9334 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0141 0.9334 0.9334
Schistosoma mansoni coup transcription factor 0.0141 0.9334 0.9334
Brugia malayi hypothetical protein 0.0075 0.1 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0141 0.9334 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0141 0.9334 0.9334
Schistosoma mansoni thyroid hormone receptor 0.0141 0.9334 0.9334
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0141 0.9334 0.9334
Loa Loa (eye worm) hypothetical protein 0.0141 0.9334 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0141 0.9334 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0141 0.9334 0.9334
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0141 0.9334 1
Schistosoma mansoni retinoic acid receptor RXR 0.0141 0.9334 0.9334
Loa Loa (eye worm) steroid hormone receptor 0.0141 0.9334 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0141 0.9334 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0141 0.9334 0.9334
Schistosoma mansoni steroid hormone receptor ad4bp 0.0141 0.9334 0.9334
Echinococcus multilocularis FTZ F1 alpha 0.0141 0.9334 0.9334
Brugia malayi ecdysteroid receptor 0.0141 0.9334 1
Onchocerca volvulus Bile acid receptor homolog 0.0141 0.9334 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0141 0.9334 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1 0.1071
Loa Loa (eye worm) hypothetical protein 0.0141 0.9334 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0075 0.1 0.1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0141 0.9334 0.9334
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0141 0.9334 0.9334
Loa Loa (eye worm) hypothetical protein 0.0075 0.1 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0141 0.9334 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0141 0.9334 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0141 0.9334 0.9334
Brugia malayi nuclear receptor NHR-88 0.0141 0.9334 1
Brugia malayi steroid hormone receptor 0.0141 0.9334 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0141 0.9334 0.9334
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0141 0.9334 1
Brugia malayi Nuclear hormone receptor-like 1 0.0141 0.9334 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.9334 1
Brugia malayi Nuclear hormone receptor-like 1 0.0075 0.1 0.1071
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0141 0.9334 0.9334
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0141 0.9334 0.9334
Loa Loa (eye worm) hypothetical protein 0.0141 0.9334 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0146 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0141 0.9334 1
Brugia malayi nuclear receptor RXR 0.0075 0.1 0.1071
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0142 0.9456 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0141 0.9334 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0141 0.9334 0.9334
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0141 0.9334 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.9334 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0075 0.1 0.1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1 0.1071
Schistosoma mansoni thyroid hormone receptor 0.0141 0.9334 0.9334
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0141 0.9334 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0141 0.9334 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.9334 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0141 0.9334 0.9334
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0141 0.9334 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0141 0.9334 0.9334
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0075 0.1 0.1071
Loa Loa (eye worm) hypothetical protein 0.0075 0.1 0.1071
Brugia malayi nuclear hormone receptor 0.0141 0.9334 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0141 0.9334 0.9334
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0141 0.9334 1
Echinococcus granulosus FTZ F1 alpha 0.0141 0.9334 0.9334
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0141 0.9334 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0141 0.9334 0.9334
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0141 0.9334 0.9334
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0141 0.9334 0.9334
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0141 0.9334 0.9334
Schistosoma mansoni nuclear hormone receptor 0.0141 0.9334 0.9334
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0146 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0141 0.9334 0.9334
Brugia malayi Nuclear hormone receptor-like 1 0.0075 0.1 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0141 0.9334 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0141 0.9334 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0141 0.9334 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0141 0.9334 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1 0.1071
Onchocerca volvulus 0.0141 0.9334 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0141 0.9334 1
Schistosoma mansoni RAR-like nuclear receptor 0.0141 0.9334 0.9334

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.3 uM Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated for 20 mins by FRET assay ChEMBL. 21882820
IC50 (binding) = 73 uM Inhibition of CD45 expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated for 20 mins by FRET assay ChEMBL. 21882820
IC50 (binding) > 100 uM Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated for 20 mins by FRET assay ChEMBL. 21882820

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

1 literature reference was collected for this gene.

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