Detailed information for compound 256696

Basic information

Technical information
  • TDR Targets ID: 256696
  • Name: 2-(3,4-dichlorophenyl)ethanamine
  • MW: 190.07 | Formula: C8H9Cl2N
  • H donors: 1 H acceptors: 0 LogP: 2.5 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
  • InChiKey: MQPUAVYKVIHUJP-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(3,4-dichlorophenyl)ethylamine
  • 3,4-Dichlorophenethylamine
  • SBB003664
  • 560421_ALDRICH

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens trace amine associated receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis sex peptide receptor trace amine associated receptor 1 339 aa 281 aa 17.1 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0008 1 1
Loa Loa (eye worm) hypothetical protein 0.0008 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0008 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0008 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0008 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0008 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0008 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0008 1 1
Brugia malayi steroid hormone receptor 0.0008 1 1
Brugia malayi nuclear hormone receptor 0.0008 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0008 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0008 1 1
Loa Loa (eye worm) hypothetical protein 0.0008 1 1
Brugia malayi nuclear receptor NHR-88 0.0008 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0008 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0008 1 1
Echinococcus granulosus FTZ F1 alpha 0.0008 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0008 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0008 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0008 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0008 1 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0008 1 1
Loa Loa (eye worm) hypothetical protein 0.0008 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0008 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0008 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 1 1
Loa Loa (eye worm) hypothetical protein 0.0008 1 1
Schistosoma mansoni nuclear hormone receptor 0.0008 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0008 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0008 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0008 1 1
Loa Loa (eye worm) hypothetical protein 0.0008 1 1
Loa Loa (eye worm) hypothetical protein 0.0008 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0008 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0008 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0008 1 1
Loa Loa (eye worm) hypothetical protein 0.0008 1 1
Schistosoma mansoni thyroid hormone receptor 0.0008 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0008 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0008 1 1
Loa Loa (eye worm) hypothetical protein 0.0008 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0008 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0008 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0008 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0008 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0008 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0008 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0008 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0008 1 1
Onchocerca volvulus 0.0008 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0008 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0008 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0008 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0008 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0008 1 1
Schistosoma mansoni coup transcription factor 0.0008 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0008 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0008 1 1
Schistosoma mansoni thyroid hormone receptor 0.0008 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0008 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 3430 nM Agonist activity at human trace amine associated receptor 1 expressed in RD-HGA16 CHO-K1 cells coexpressed with Galpha16 protein assessed as internal calcium mobilization by calcium 3 assay ChEMBL. 18602830
Emax (functional) = 78 % Agonist activity at human trace amine associated receptor 1 expressed in RD-HGA16 CHO-K1 cells coexpressed with Galpha16 protein assessed as internal calcium mobilization by calcium 3 assay relative to 2-phenylethanamine ChEMBL. 18602830
IC50 (binding) = 0.00002 M In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase ChEMBL. 7381849
IC50 (binding) = 0.00002 M In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase ChEMBL. 7381849

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

2 literature references were collected for this gene.

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