Detailed information for compound 25815

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 740.557 | Formula: C22H19Cl2F8N3O4S4
  • H donors: 1 H acceptors: 4 LogP: 7.3 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: FC(C(Sc1c(Cl)ccc2c1CN(CC2)S(=O)(=O)NS(=O)(=O)N1CCc2c(C1)c(SC(C(F)F)(F)F)c(cc2)Cl)(F)F)F
  • InChi: 1S/C22H19Cl2F8N3O4S4/c23-15-3-1-11-5-7-34(9-13(11)17(15)40-21(29,30)19(25)26)42(36,37)33-43(38,39)35-8-6-12-2-4-16(24)18(14(12)10-35)41-22(31,32)20(27)28/h1-4,19-20,33H,5-10H2
  • InChiKey: YFVOMCLSZXXYKQ-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
Echinococcus multilocularis thyroid hormone receptor alpha 0.0029 0.0657 0.4169
Brugia malayi photoreceptor-specific nuclear receptor 0.0029 0.0657 0.0657
Schistosoma mansoni metabotropic glutamate receptor 0.0019 0.0179 0.0266
Brugia malayi steroid hormone receptor 0.0029 0.0657 0.0657
Echinococcus granulosus FTZ F1 alpha 0.0029 0.0657 0.4169
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0029 0.0657 0.4169
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0029 0.0657 0.4169
Loa Loa (eye worm) glutamate receptor 0.0016 0.0003 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0029 0.0657 0.0657
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0.0657 0.0657
Onchocerca volvulus 0.0029 0.0657 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0657 0.0657
Schistosoma mansoni thyroid hormone receptor 0.0029 0.0657 0.0974
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0029 0.0657 0.0974
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0029 0.0657 0.4169
Onchocerca volvulus Bile acid receptor homolog 0.0029 0.0657 0.5
Schistosoma mansoni coup transcription factor 0.0029 0.0657 0.0974
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0.0657 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0029 0.0657 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0029 0.0657 0.0657
Schistosoma mansoni d-amino acid oxidase 0.0157 0.6742 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0029 0.0657 0.0974
Echinococcus multilocularis FTZ F1 alpha 0.0029 0.0657 0.4169
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0144 0.6119 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0657 0.0657
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0029 0.0657 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0029 0.0657 0.0657
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0029 0.0657 0.4169
Loa Loa (eye worm) hypothetical protein 0.0157 0.6742 0.6742
Loa Loa (eye worm) glutamate receptor 0.0039 0.1141 0.1141
Echinococcus granulosus ecdysone induced protein 78C 0.0029 0.0657 0.4169
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0029 0.0657 0.0974
Loa Loa (eye worm) hypothetical protein 0.0029 0.0657 0.0657
Brugia malayi ecdysteroid receptor 0.0029 0.0657 0.0657
Brugia malayi Steroid receptor seven-up type 2 0.0029 0.0657 0.0657
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0029 0.0657 0.4169
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0029 0.0657 0.4169
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.0965 0.0965
Schistosoma mansoni steroid hormone receptor ad4bp 0.0029 0.0657 0.0974
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0029 0.0657 0.0657
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0029 0.0657 0.0657
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.0657 0.4169
Schistosoma mansoni thyroid hormone receptor 0.0029 0.0657 0.0974
Schistosoma mansoni nuclear hormone receptor 0.0029 0.0657 0.0974
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.0657 0.4169
Echinococcus multilocularis ecdysone induced protein 78C 0.0029 0.0657 0.4169
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0029 0.0657 0.0657
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0029 0.0657 0.4169
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0029 0.0657 0.0657
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0029 0.0657 0.0657
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 1 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0049 0.1575 1
Loa Loa (eye worm) steroid hormone receptor 0.0029 0.0657 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0.0657 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0029 0.0657 0.0657
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0029 0.0657 0.0974
Schistosoma mansoni retinoic acid receptor RXR 0.0029 0.0657 0.0974
Echinococcus granulosus metabotropic glutamate receptor 2 0.0033 0.0837 0.5313
Brugia malayi Nuclear hormone receptor-like 1 0.0029 0.0657 0.0657
Brugia malayi nuclear hormone receptor 0.0029 0.0657 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0029 0.0657 0.0657
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0033 0.0837 0.5313
Loa Loa (eye worm) hypothetical protein 0.0029 0.0657 0.0657
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0029 0.0657 0.4169
Echinococcus granulosus metabotropic glutamate receptor 5 0.0049 0.1575 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0029 0.0657 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0029 0.0657 0.0657
Brugia malayi Metabotropic glutamate receptor precursor. 0.0039 0.1141 0.1141
Loa Loa (eye worm) hypothetical protein 0.0049 0.1575 0.1575
Schistosoma mansoni RAR-like nuclear receptor 0.0029 0.0657 0.0974
Brugia malayi metabotropic glutamate receptor type 2 0.0019 0.0179 0.0179
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0029 0.0657 0.0974
Schistosoma mansoni metabotropic glutamate receptor 0.0033 0.0837 0.1241
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.0657 0.4169
Loa Loa (eye worm) hypothetical protein 0.0029 0.0657 0.0657
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0.0657 0.0657
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0029 0.0657 0.0657
Brugia malayi nuclear receptor NHR-88 0.0029 0.0657 0.0657
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.0657 0.4169
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0029 0.0657 0.0657
Loa Loa (eye worm) hypothetical protein 0.0029 0.0657 0.0657
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0029 0.0657 0.4169
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0157 0.6742 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0029 0.0657 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0657 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0029 0.0657 0.0657
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0157 0.6742 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0657 0.0657
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0045 0.1399 0.2075
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0029 0.0657 0.0974

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 22 % 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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