Detailed information for compound 1146711

Basic information

Technical information
  • TDR Targets ID: 1146711
  • Name: diethyl-methyl-(2-pyridin-2-ylethyl)azanium
  • MW: 193.309 | Formula: C12H21N2+
  • H donors: 0 H acceptors: 1 LogP: 1.93 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[N+](CCc1ccccn1)(CC)C
  • InChi: 1S/C12H21N2/c1-4-14(3,5-2)11-9-12-8-6-7-10-13-12/h6-8,10H,4-5,9,11H2,1-3H3/q+1
  • InChiKey: WZXGSKIGSSEPSE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • diethyl-methyl-[2-(2-pyridyl)ethyl]ammonium

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
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0011 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.8864 0.8864
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.8864 0.8864
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0021 0.2296 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0053 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0041 0.0041
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.2562 0.2562
Toxoplasma gondii cytochrome p450 superfamily protein 0.0011 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.2562 0.289
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.2562 0.289
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.2562 0.289
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.2562 0.289
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.8864 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.2562 0.289
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.2562 0.2562
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.2562 0.289
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.2562 0.2562
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.2296 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0011 0 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.2562 0.289
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.2562 0.289
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.2562 0.289
Leishmania major cytochrome p450-like protein 0.0021 0.2296 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0011 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.2562 0.2562
Echinococcus granulosus FTZ F1 alpha 0.0022 0.2562 0.289
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.2562 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.2562 0.2562
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.2562 0.2562
Brugia malayi hypothetical protein 0.0012 0.0041 0.0041
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0011 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.2562 0.289
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.2562 0.2562
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.2562 0.2562
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0011 0 0.5
Brugia malayi nuclear receptor RXR 0.0012 0.0041 0.0041
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0011 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.2562 0.289
Mycobacterium leprae putative cytochrome p450 0.0011 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.8864 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.2562 0.289
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0022 0.2562 0.2562
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0011 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.2562 0.2562
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.2562 0.2562
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0011 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.2562 0.2562
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0011 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.2296 0.2296
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.2562 0.2562
Schistosoma mansoni thyroid hormone receptor 0.0022 0.2562 0.289
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.2562 0.2562
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.2562 0.289
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.8864 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.2562 0.289
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.2562 0.2562
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.2562 0.2562
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.2562 0.2562
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.2296 0.2296
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0011 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0011 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.2562 0.2562
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0022 0.2562 0.2562
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0011 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.2562 0.289
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.2562 0.289
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.2562 0.289
Loa Loa (eye worm) hypothetical protein 0.0022 0.2562 0.2562
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0041
Brugia malayi ecdysteroid receptor 0.0022 0.2562 0.2562
Brugia malayi nuclear hormone receptor 0.0022 0.2562 0.2562
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0011 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0022 0.2562 0.2562
Schistosoma mansoni coup transcription factor 0.0022 0.2562 0.289
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0011 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.2562 0.289
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.2562 0.289
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0041
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.2562 0.2562
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.2562 0.2562
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.2296 1
Loa Loa (eye worm) CYP4Cod1 0.0021 0.2296 0.2296
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.2562 0.289
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0011 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0021 0.2296 0.2296
Loa Loa (eye worm) hypothetical protein 0.0022 0.2562 0.2562
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0011 0 0.5
Trypanosoma brucei cytochrome P450, putative 0.0021 0.2296 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0041
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.8864 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.2562 0.289
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0012 0.0041 0.0046
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0041
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.2562 0.289
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.2562 0.2562
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.2562 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0012 0.0041 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.2562 0.2562
Brugia malayi Cytochrome P450 family protein 0.0021 0.2296 0.2296
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.2562 0.289
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.2562 0.2562
Onchocerca volvulus 0.0022 0.2562 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0041 0.0046
Schistosoma mansoni thyroid hormone receptor 0.0022 0.2562 0.289
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.8864 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.2562 0.289
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0011 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.2562 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.8864 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.2562 0.289
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.2562 0.2562
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.8864 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0012 0.0041 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.2562 0.2562
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0011 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.2562 0.2562
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.2562 0.2562
Mycobacterium leprae Conserved hypothetical protein 0.0011 0 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0012 0.0041 0.0046
Loa Loa (eye worm) hypothetical protein 0.0022 0.2562 0.2562
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.2562 0.2562
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.2562 0.289
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0011 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0011 0 0.5
Brugia malayi hypothetical protein 0.0012 0.0041 0.0041
Schistosoma mansoni nuclear hormone receptor 0.0022 0.2562 0.289
Brugia malayi steroid hormone receptor 0.0022 0.2562 0.2562

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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