Detailed information for compound 449331

Basic information

Technical information
  • TDR Targets ID: 449331
  • Name: 2-[12-(2-diethylaminoethyloxy)dodecoxy]-N,N-d iethylethanamine dihydrochloride
  • MW: 473.604 | Formula: C24H54Cl2N2O2
  • H donors: 0 H acceptors: 0 LogP: 7.75 Rotable bonds: 23
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCOCCCCCCCCCCCCOCCN(CC)CC)CC.Cl.Cl
  • InChi: 1S/C24H52N2O2.2ClH/c1-5-25(6-2)19-23-27-21-17-15-13-11-9-10-12-14-16-18-22-28-24-20-26(7-3)8-4;;/h5-24H2,1-4H3;2*1H
  • InChiKey: WNBUDCCKFMFKRB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[12-(2-diethylaminoethyloxy)dodecoxy]-N,N-diethyl-ethanamine dihydrochloride
  • 2-[12-(2-diethylaminoethyloxy)dodecoxy]ethyl-diethyl-amine dihydrochloride
  • 2-[12-(2-diethylaminoethoxy)dodecoxy]-N,N-diethylethanamine dihydrochloride
  • 2-[12-(2-diethylaminoethoxy)dodecoxy]-N,N-diethyl-ethanamine dihydrochloride
  • 2-[12-(2-diethylaminoethoxy)dodecoxy]ethyl-diethyl-amine dihydrochloride

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 thyroid hormone receptor alpha 0.0092 0.0486 0.0486
Loa Loa (eye worm) hypothetical protein 0.0196 0.211 0.5824
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0196 0.211 0.211
Brugia malayi Nuclear hormone receptor-like 1 0.0195706 0.5 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0196 0.211 0.5824
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0196 0.211 0.211
Schistosoma mansoni nuclear receptor 0.0092 0.0486 0.0486
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0196 0.211 1
Brugia malayi glutaminase DH11.1 0.027 0.3275 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0092 0.0486 0.0486
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0092 0.0486 0.0486
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0 0.5
Brugia malayi hypothetical protein 0.0103 0.066 0.0624
Brugia malayi hypothetical protein 0.0149 0.1379 0.3202
Schistosoma mansoni glutaminase 0.027 0.3275 0.3275
Loa Loa (eye worm) hypothetical protein 0.0103 0.066 0.0624
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0196 0.211 0.211
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0196 0.211 0.5824
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0103 0.066 0.066
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0196 0.211 0.5824
Schistosoma mansoni coup transcription factor 0.0196 0.211 0.211
Brugia malayi nuclear hormone receptor 0.0196 0.211 0.5824
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0195706 0.5 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0196 0.211 0.5824
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0196 0.211 0.211
Loa Loa (eye worm) hypothetical protein 0.0103 0.066 0.0624
Echinococcus multilocularis ecdysone induced protein 78C 0.0195706 0.5 0.5
Brugia malayi nuclear hormone receptor 0.0195706 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.0195706 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0196 0.211 0.5824
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0196 0.211 0.211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0195706 0.5 0.5
Schistosoma mansoni zinc finger protein 0.0092 0.0486 0.0486
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0196 0.211 0.211
Onchocerca volvulus 0.0196 0.211 1
Loa Loa (eye worm) hypothetical protein 0.0195706 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0196 0.211 0.5824
Schistosoma mansoni nuclear receptor nhr-48 0.0092 0.0486 0.0486
Loa Loa (eye worm) hypothetical protein 0.0195706 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0196 0.211 0.5824
Loa Loa (eye worm) hypothetical protein 0.0149 0.1379 0.3202
Loa Loa (eye worm) hypothetical protein 0.0195706 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0195706 0.5 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0195706 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0196 0.211 0.211
Loa Loa (eye worm) hypothetical protein 0.0195706 0.5 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0196 0.211 0.5824
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0195706 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0196 0.211 0.5824
Brugia malayi photoreceptor-specific nuclear receptor 0.0195706 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0196 0.211 0.5824
Brugia malayi ecdysteroid receptor 0.0195706 0.5 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0196 0.211 0.211
Schistosoma mansoni thyroid hormone receptor 0.0195706 0.5 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0195706 0.5 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0103 0.066 0.066
Loa Loa (eye worm) hypothetical protein 0.0195706 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0195706 0.5 0.5
Mycobacterium ulcerans glutaminase 0.027 0.3275 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0195706 0.5 0.5
Schistosoma mansoni nuclear hormone receptor 0.0092 0.0486 0.0486
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0196 0.211 0.211
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0103 0.066 0.066
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0195706 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0196 0.211 0.5824
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0195706 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0195706 0.5 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0195706 0.5 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0195706 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0196 0.211 0.5824
Schistosoma mansoni RAR-like nuclear receptor 0.0195706 0.5 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0195706 0.5 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0196 0.211 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0195706 0.5 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0196 0.211 0.5824
Brugia malayi nuclear receptor RXR 0.0103 0.066 0.0624
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0195706 0.5 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0195706 0.5 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0092 0.0486 0.0486
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0196 0.211 0.5824
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0196 0.211 0.5824
Echinococcus granulosus nuclear receptor nhr 48 0.0092 0.0486 0.0486
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0195706 0.5 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0196 0.211 0.211
Echinococcus multilocularis FTZ F1 alpha 0.0195706 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0196 0.211 0.5824
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0196 0.211 0.211
Trichomonas vaginalis glutaminase, putative 0.027 0.3275 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0196 0.211 0.211
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0195706 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0195706 0.5 0.5
Brugia malayi nuclear receptor NHR-88 0.0196 0.211 0.5824
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0196 0.211 0.5824
Loa Loa (eye worm) hypothetical protein 0.0196 0.211 0.5824
Brugia malayi Nuclear hormone receptor-like 1 0.0103 0.066 0.0624
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0195706 0.5 0.5
Brugia malayi steroid hormone receptor 0.0196 0.211 0.5824
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0195706 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0195706 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0196 0.211 0.5824
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0195706 0.5 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0196 0.211 0.211
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0103 0.066 0.0624
Echinococcus multilocularis nuclear receptor nhr 48 0.0092 0.0486 0.0486
Echinococcus multilocularis ecdysone induced protein 78C 0.0196 0.211 0.211
Onchocerca volvulus Protein ultraspiracle homolog 0.0196 0.211 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0195706 0.5 0.5
Onchocerca volvulus 0.0149 0.1379 0.5499
Schistosoma mansoni nuclear receptor 0.0092 0.0486 0.0486
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0196 0.211 0.5824
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0196 0.211 0.211
Schistosoma mansoni RAR-like nuclear receptor 0.0196 0.211 0.211
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0196 0.211 0.211
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0196 0.211 0.5824
Loa Loa (eye worm) hypothetical protein 0.0103 0.066 0.0624
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0 0.5
Brugia malayi steroid hormone receptor 0.0195706 0.5 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0196 0.211 0.211
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0195706 0.5 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0196 0.211 0.5824
Echinococcus multilocularis thyroid hormone receptor alpha 0.0195706 0.5 0.5
Brugia malayi nuclear receptor NHR-88 0.0195706 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0196 0.211 0.5824
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0195706 0.5 0.5
Onchocerca volvulus 0.0195706 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0196 0.211 0.5824
Schistosoma mansoni thyroid hormone receptor 0.0196 0.211 0.211
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0092 0.0486 0.0486
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0195706 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0092 0.0486 0.0486
Loa Loa (eye worm) glutaminase 0.027 0.3275 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0196 0.211 0.211
Brugia malayi hypothetical protein 0.0103 0.066 0.0624
Onchocerca volvulus Bile acid receptor homolog 0.0195706 0.5 0.5
Schistosoma mansoni nuclear hormone receptor 0.0092 0.0486 0.0486
Brugia malayi ecdysteroid receptor 0.0196 0.211 0.5824
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0196 0.211 0.211
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0103 0.066 0.066
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0196 0.211 0.5824
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0195706 0.5 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0103 0.066 0.0624
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0092 0.0486 0.0486
Loa Loa (eye worm) hypothetical protein 0.0195706 0.5 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0196 0.211 0.211
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0195706 0.5 0.5
Loa Loa (eye worm) glutaminase 2 0.027 0.3275 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0195706 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0195706 0.5 0.5
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0092 0.0486 0.0486
Echinococcus multilocularis microtubule associated protein 2 0.0698 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0195706 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0195706 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0196 0.211 0.5824
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0195706 0.5 0.5
Echinococcus granulosus FTZ F1 alpha 0.0195706 0.5 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0196 0.211 0.211
Schistosoma mansoni nuclear hormone receptor 0.0195706 0.5 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0195706 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0196 0.211 0.5824
Loa Loa (eye worm) hypothetical protein 0.0103 0.066 0.0624
Schistosoma mansoni steroid hormone receptor ad4bp 0.0195706 0.5 0.5
Echinococcus granulosus FTZ F1 alpha 0.0196 0.211 0.211
Loa Loa (eye worm) hypothetical protein 0.0196 0.211 0.5824
Onchocerca volvulus Protein ultraspiracle homolog 0.0195706 0.5 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0196 0.211 0.211
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0196 0.211 0.211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0196 0.211 0.5824
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0196 0.211 0.211
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0195706 0.5 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0092 0.0486 0.0486
Schistosoma mansoni coup transcription factor 0.0195706 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.0196 0.211 0.211
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0196 0.211 0.211
Echinococcus granulosus Nuclear hormone receptor HR96 0.0092 0.0486 0.0486
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0195706 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0103 0.066 0.0624
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0092 0.0486 0.0486
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0195706 0.5 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0195706 0.5 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0195706 0.5 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0195706 0.5 0.5
Schistosoma mansoni nuclear hormone receptor 0.0196 0.211 0.211
Echinococcus granulosus Nuclear hormone receptor HR96 0.0092 0.0486 0.0486
Loa Loa (eye worm) hypothetical protein 0.0196 0.211 0.5824
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0195706 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0195706 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0195706 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0195706 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0196 0.211 0.5824
Schistosoma mansoni microtubule-associated protein tau 0.0698 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 120 nM Antimalarial activity against Plasmodium falciparum Nigerian in human erythrocytes after 48 hrs ChEMBL. 18004799
IC50 (functional) = 120 nM Antimalarial activity against Plasmodium falciparum Nigerian in human erythrocytes after 48 hrs ChEMBL. 18004799

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18004799

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

1 literature reference was collected for this gene.

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