Detailed information for compound 1589436

Basic information

Technical information
  • TDR Targets ID: 1589436
  • Name: 1-[4-(azepan-1-yl)butyl]azepane
  • MW: 252.439 | Formula: C16H32N2
  • H donors: 0 H acceptors: 0 LogP: 3.42 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C(CN1CCCCCC1)CCN1CCCCCC1
  • InChi: 1S/C16H32N2/c1-2-6-12-17(11-5-1)15-9-10-16-18-13-7-3-4-8-14-18/h1-16H2
  • InChiKey: STZIRYVBGSAQLE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-(1-azepanyl)butyl]azepane
  • STOCK1S-11175

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 granulosus Nuclear hormone receptor family member nhr 41 0.0023 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 0 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0023 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 0 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0264 0.255 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0023 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0023 0 0.5
Plasmodium falciparum telomerase reverse transcriptase 0.0264 0.255 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0 0.5
Leishmania major telomerase reverse transcriptase, putative 0.0264 0.255 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0 0.5
Toxoplasma gondii RNA-directed DNA polymerase 0.0264 0.255 0.5
Loa Loa (eye worm) hypothetical protein 0.0379 0.3778 1
Onchocerca volvulus Bile acid receptor homolog 0.0379 0.3778 0.3778
Giardia lamblia Telomerase catalytic subunit 0.0264 0.255 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 0 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0023 0 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 0 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0264 0.255 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0023 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0023 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0023 0 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0023 0 0.5
Trypanosoma brucei telomerase reverse transcriptase 0.0264 0.255 0.5
Brugia malayi Telomerase reverse transcriptase 0.0702 0.7201 1
Schistosoma mansoni RAR-like nuclear receptor 0.0023 0 0.5
Brugia malayi ecdysteroid receptor 0.0379 0.3778 0.5247
Schistosoma mansoni coup transcription factor 0.0023 0 0.5
Plasmodium vivax telomerase reverse transcriptase, putative 0.0264 0.255 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0023 0 0.5

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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