Detailed information for compound 1797875

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 318.305 | Formula: C15H21Cl2NS
  • H donors: 1 H acceptors: 0 LogP: 4.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSCC(c1ccc(c(c1)Cl)Cl)C1CCNCC1
  • InChi: 1S/C15H21Cl2NS/c1-2-19-10-13(11-5-7-18-8-6-11)12-3-4-14(16)15(17)9-12/h3-4,9,11,13,18H,2,5-8,10H2,1H3
  • InChiKey: BUHYNSCVXFKNPC-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 0.218 1 1
Loa Loa (eye worm) integrin beta-2 0.0368 0.1291 0.1291
Schistosoma mansoni retinoic acid receptor RXR 0.07 0.289 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0173 0.0355 0.0181
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0173 0.0355 0.0181
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0292 0.0927 0.0764
Onchocerca volvulus 0.0292 0.0927 0.0594
Loa Loa (eye worm) hypothetical protein 0.0173 0.0355 0.0355
Echinococcus multilocularis ecdysone induced protein 78C 0.0173 0.0355 0.0747
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0292 0.0927 0.2259
Brugia malayi nuclear hormone receptor 0.0173 0.0355 0.0181
Loa Loa (eye worm) hypothetical protein 0.0173 0.0355 0.0355
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0173 0.0355 0.0355
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0173 0.0355 0.0181
Loa Loa (eye worm) hypothetical protein 0.0136 0.0177 0.0177
Echinococcus granulosus serotonin transporter 0.0292 0.0927 0.2744
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0173 0.0355 0.0181
Loa Loa (eye worm) hypothetical protein 0.0292 0.0927 0.0927
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0173 0.0355 0.0747
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0173 0.0355 0.0355
Schistosoma mansoni integrin alpha 0.0179 0.0387 0.0126
Echinococcus multilocularis serotonin transporter 0.0292 0.0927 0.3275
Loa Loa (eye worm) hypothetical protein 0.0173 0.0355 0.0355
Echinococcus multilocularis integrin beta 2 0.0272 0.0833 0.2858
Brugia malayi steroid hormone receptor 0.0173 0.0355 0.0181
Brugia malayi Integrin beta pat-3 precursor 0.0368 0.1291 0.1134
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0173 0.0355 0.0747
Echinococcus multilocularis FTZ F1 alpha 0.0173 0.0355 0.0747
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0173 0.0355 0.0181
Onchocerca volvulus Bile acid receptor homolog 0.218 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0173 0.0355 0.0626
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0173 0.0355 0.0355
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0173 0.0355 0.0181
Brugia malayi Integrin alpha pat-2 precursor 0.0179 0.0387 0.0214
Loa Loa (eye worm) integrin alpha pat-2 0.0277 0.0854 0.0854
Loa Loa (eye worm) serotonin transporter b 0.0292 0.0927 0.0927
Brugia malayi photoreceptor-specific nuclear receptor 0.0173 0.0355 0.0181
Brugia malayi Steroid receptor seven-up type 2 0.0173 0.0355 0.0181
Treponema pallidum sodium- and chloride- dependent transporter 0.0292 0.0927 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.07 0.289 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0173 0.0355 0.0626
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0173 0.0355 0.0626
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0173 0.0355 0.0626
Loa Loa (eye worm) steroid hormone receptor 0.0173 0.0355 0.0355
Echinococcus granulosus integrin beta 2 0.0272 0.0833 0.2394
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0173 0.0355 0.0181
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0173 0.0355 0.0747
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0173 0.0355 0.0626
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0173 0.0355 0.0355
Loa Loa (eye worm) hypothetical protein 0.0173 0.0355 0.0355
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0173 0.0355 0.0355
Brugia malayi nuclear receptor NHR-88 0.0173 0.0355 0.0181
Echinococcus granulosus FTZ F1 alpha 0.0173 0.0355 0.0626
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0173 0.0355 0.0747
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0173 0.0355 0.0626
Loa Loa (eye worm) solute carrier family 6 member 4 0.0292 0.0927 0.0927
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0173 0.0355 0.0626
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0173 0.0355 0.0181
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0173 0.0355 0.0355
Loa Loa (eye worm) hypothetical protein 0.0292 0.0927 0.0927
Schistosoma mansoni sodium/chloride dependent transporter 0.0292 0.0927 0.2259
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0173 0.0355 0.0181
Echinococcus multilocularis thyroid hormone receptor alpha 0.0173 0.0355 0.0747
Loa Loa (eye worm) hypothetical protein 0.0173 0.0355 0.0355
Loa Loa (eye worm) hypothetical protein 0.0173 0.0355 0.0355
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0173 0.0355 0.0355
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0609 0.2451 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0173 0.0355 0.0747
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0173 0.0355 0.0181
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0173 0.0355 0.0181
Loa Loa (eye worm) norepinephrine transporter 0.0292 0.0927 0.0927
Schistosoma mansoni integrin beta subunit 0.0216 0.0565 0.0828
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0173 0.0355 0.0181
Loa Loa (eye worm) hypothetical protein 0.0173 0.0355 0.0355
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0173 0.0355 0.0181
Loa Loa (eye worm) hypothetical protein 0.0141 0.0201 0.0201
Brugia malayi Nuclear hormone receptor-like 1 0.0173 0.0355 0.0181
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0173 0.0355 0.0747
Loa Loa (eye worm) hypothetical protein 0.0292 0.0927 0.0927

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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