Detailed information for compound 812705

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 318.434 | Formula: C17H22N2O2S
  • H donors: 0 H acceptors: 1 LogP: 1.87 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN1CCN(CCC1=O)Cc1cc2c(s1)cccc2
  • InChi: 1S/C17H22N2O2S/c1-21-11-10-19-9-8-18(7-6-17(19)20)13-15-12-14-4-2-3-5-16(14)22-15/h2-5,12H,6-11,13H2,1H3
  • InChiKey: DZXUDDGICJCFRW-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 nuclear receptor 2DBD-gamma 0.0051 0.0162 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0162 0.0586
Echinococcus multilocularis ecdysone induced protein 78C 0.0051 0.0162 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0051 0.0162 1
Brugia malayi Steroid receptor seven-up type 2 0.0051 0.0162 0.0586
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0051 0.0162 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0162 0.0586
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0051 0.0162 0.0586
Brugia malayi ecdysteroid receptor 0.0371 0.2758 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0051 0.0162 0.0586
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0051 0.0162 0.0586
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0051 0.0162 0.0586
Loa Loa (eye worm) hypothetical protein 0.0051 0.0162 0.0586
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0051 0.0162 0.0586
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0164 0.1081 0.3921
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0051 0.0162 0.0586
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0051 0.0162 0.0586
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0051 0.0162 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0051 0.0162 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0051 0.0162 0.0586
Schistosoma mansoni steroid hormone receptor ad4bp 0.0051 0.0162 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0051 0.0162 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0051 0.0162 1
Schistosoma mansoni nuclear hormone receptor 0.0051 0.0162 1
Schistosoma mansoni retinoic acid receptor RXR 0.0051 0.0162 1
Brugia malayi nuclear hormone receptor 0.0051 0.0162 0.0586
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0051 0.0162 1
Toxoplasma gondii hypothetical protein 0.0164 0.1081 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0051 0.0162 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0051 0.0162 0.0586
Schistosoma mansoni thyroid hormone receptor 0.0051 0.0162 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0051 0.0162 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0051 0.0162 0.0586
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0051 0.0162 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0051 0.0162 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0162 0.0586
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0051 0.0162 0.0586
Loa Loa (eye worm) hypothetical protein 0.0164 0.1081 0.3921
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0051 0.0162 0.0586
Loa Loa (eye worm) hypothetical protein 0.0051 0.0162 0.0586
Brugia malayi steroid hormone receptor 0.0051 0.0162 0.0586
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0051 0.0162 1
Echinococcus granulosus ecdysone induced protein 78C 0.0051 0.0162 1
Loa Loa (eye worm) hypothetical protein 0.0371 0.2758 1
Schistosoma mansoni RAR-like nuclear receptor 0.0051 0.0162 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0051 0.0162 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0051 0.0162 0.0586
Echinococcus granulosus FTZ F1 alpha 0.0051 0.0162 1
Schistosoma mansoni coup transcription factor 0.0051 0.0162 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0162 0.0586
Loa Loa (eye worm) steroid hormone receptor 0.0051 0.0162 0.0586
Brugia malayi Nuclear hormone receptor-like 1 0.0051 0.0162 0.0586
Loa Loa (eye worm) hypothetical protein 0.0051 0.0162 0.0586
Brugia malayi photoreceptor-specific nuclear receptor 0.0051 0.0162 0.0586
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0051 0.0162 0.0586
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0051 0.0162 0.0586
Loa Loa (eye worm) hypothetical protein 0.0164 0.1081 0.3921
Brugia malayi nuclear receptor NHR-88 0.0051 0.0162 0.0586
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0051 0.0162 1
Onchocerca volvulus Bile acid receptor homolog 0.0371 0.2758 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0051 0.0162 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0051 0.0162 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0051 0.0162 0.0586
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0051 0.0162 0.0586
Loa Loa (eye worm) hypothetical protein 0.0164 0.1081 0.3921
Echinococcus multilocularis FTZ F1 alpha 0.0051 0.0162 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0051 0.0162 0.0586
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0051 0.0162 0.0586
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0051 0.0162 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0051 0.0162 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0051 0.0162 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0051 0.0162 0.0586
Schistosoma mansoni thyroid hormone receptor 0.0051 0.0162 1

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.
 
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

No literature references available for this target.

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