Detailed information for compound 866000

Basic information

Technical information
  • TDR Targets ID: 866000
  • Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin -2-ylethanamine
  • MW: 270.369 | Formula: C17H22N2O
  • H donors: 0 H acceptors: 1 LogP: 3.02 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)CN(CCc1ccccn1)C
  • InChi: 1S/C17H22N2O/c1-3-20-17-9-7-15(8-10-17)14-19(2)13-11-16-6-4-5-12-18-16/h4-10,12H,3,11,13-14H2,1-2H3
  • InChiKey: QZWCGRVBYUHVKQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2-pyridyl)ethanamine
  • (4-ethoxybenzyl)-methyl-[2-(2-pyridyl)ethyl]amine
  • N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyridin-2-yl-ethanamine
  • ChemDiv2_001381
  • STK146494
  • Oprea1_343010

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
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0073 0.1014 0.0269
Onchocerca volvulus 0.0027 0 0.5
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0395 0.8105 0.8105
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0395 0.8105 1
Brugia malayi CHE-14 protein 0.0064 0.0817 0.2892
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0073 0.1014 0.0269
Echinococcus multilocularis sterol regulatory element binding protein 0.0064 0.0817 0.2892
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0155 0.2827 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0395 0.8105 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.2827 1
Onchocerca volvulus 0.0027 0 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0064 0.0817 0.2892
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0155 0.2827 1
Echinococcus multilocularis protein patched 0.0064 0.0817 0.2892
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0073 0.1014 0.5
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0155 0.2827 1
Plasmodium vivax beta-hydroxyacyl-ACP dehydratase precursor, putative 0.0481 1 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0073 0.1014 0.0269
Echinococcus multilocularis protein dispatched 1 0.0064 0.0817 0.2892
Schistosoma mansoni patched 1 0.0064 0.0817 0.2892
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0155 0.2827 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0395 0.8105 0.8105
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0027 0 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.0064 0.0817 0.2892
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0155 0.2827 1
Toxoplasma gondii beta-hydroxyacyl-acyl carrier protein dehydratase (FABZ) 0.0481 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0817 0.2892
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0395 0.8105 0.8105
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0155 0.2827 1
Wolbachia endosymbiont of Brugia malayi (3R)-hydroxymyristoyl-ACP dehydratase 0.0481 1 1
Plasmodium falciparum beta-hydroxyacyl-ACP dehydratase 0.0481 1 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0395 0.8105 0.8105
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0064 0.0817 0.2892
Trichomonas vaginalis hypothetical protein 0.0395 0.8105 1
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0155 0.2827 0.3488
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0155 0.2827 1
Echinococcus granulosus Protein patched homolog 1 0.0064 0.0817 0.2892
Echinococcus granulosus sterol regulatory element binding protein 0.0064 0.0817 0.2892
Plasmodium falciparum enoyl-acyl carrier reductase 0.0395 0.8105 0.8105
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0155 0.2827 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0395 0.8105 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0064 0.0817 0.2892

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.