Detailed information for compound 1153934

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 371.407 | Formula: C21H34Cl2N+
  • H donors: 0 H acceptors: 0 LogP: 7.58 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCC[N+](C/C=C\Cc1cccc(c1Cl)Cl)(CC)CC
  • InChi: 1S/C21H34Cl2N/c1-4-7-8-9-11-17-24(5-2,6-3)18-12-10-14-19-15-13-16-20(22)21(19)23/h10,12-13,15-16H,4-9,11,14,17-18H2,1-3H3/q+1/b12-10-
  • InChiKey: JMSJPIPEOFLODN-BENRWUELSA-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) nuclear Hormone Receptor family member 0.0012 0.1045 0.1045
Brugia malayi ecdysteroid receptor 0.0012 0.1045 0.1045
Trichomonas vaginalis CMGC family protein kinase 0.0059 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1045 0.1045
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.1045 0.1045
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1045 0.1045
Brugia malayi nuclear hormone receptor 0.0012 0.1045 0.1045
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.1045 0.1045
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1045 0.1045
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.1045 0.1045
Trichomonas vaginalis CMGC family protein kinase 0.0059 1 0.5
Brugia malayi steroid hormone receptor 0.0012 0.1045 0.1045
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.1045 0.1045
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1045 0.1045
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0059 1 0.5
Schistosoma mansoni coup transcription factor 0.0012 0.1045 0.1045
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.1045 0.1045
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.1045 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.1045 0.1045
Trypanosoma brucei protein kinase, putative 0.0059 1 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0059 1 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.1045 0.1045
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1045 0.1045
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.1045 0.1045
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1045 0.1045
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.1045 0.1045
Schistosoma mansoni serine/threonine protein kinase 0.0059 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.0059 1 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0059 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.1045 0.1045
Onchocerca volvulus 0.0012 0.1045 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.1045 0.1045
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.1045 0.1045
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.1045 0.1045
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1045 0.1045
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.1045 0.1045
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0059 1 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.1045 0.1045
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.1045 0.1045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.1045 0.1045
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Brugia malayi nuclear receptor NHR-88 0.0012 0.1045 0.1045
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.1045 0.1045
Echinococcus granulosus FTZ F1 alpha 0.0012 0.1045 0.1045
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.1045 0.1045
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1045 0.1045
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0059 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.1045 0.1045
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1045 0.1045
Giardia lamblia Kinase, CMGC MAPK 0.0059 1 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.1045 0.1045
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1045 0.1045
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.1045 0.1045
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.1045 0.1045
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0059 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.1045 0.1045
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.1045 0.1045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.1045 0.1045
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.1045 0.1045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.1045 0.1045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.1045 0.1045
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.1045 0.1045
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.1045 0.1045
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0059 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1045 0.1045
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.1045 0.1045
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0059 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.1045 0.1045
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1045 0.1045
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.1045 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.1045 0.1045
Echinococcus granulosus mitogen activated protein kinase 3 0.0059 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.1045 0.1045
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Trichomonas vaginalis CMGC family protein kinase 0.0059 1 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0059 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.1045 0.1045
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Trichomonas vaginalis CMGC family protein kinase 0.0059 1 0.5
Schistosoma mansoni nuclear hormone receptor 0.0012 0.1045 0.1045
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.1045 0.1045
Echinococcus granulosus mitogen activated protein kinase 0.0059 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.1045 0.1045
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.1045 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0059 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.1045 0.1045

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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