Detailed information for compound 978640

Basic information

Technical information
  • TDR Targets ID: 978640
  • Name: 2-(4-chlorophenyl)-N,N-dimethylethanamine
  • MW: 183.678 | Formula: C10H14ClN
  • H donors: 0 H acceptors: 0 LogP: 2.85 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCc1ccc(cc1)Cl)C
  • InChi: 1S/C10H14ClN/c1-12(2)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3
  • InChiKey: RKLSNRMANRTWPZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-chlorophenyl)-N,N-dimethyl-ethanamine
  • 2-(4-chlorophenyl)ethyl-dimethyl-amine

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 heat shock protein, putative 0.0032 0.104 1
Trypanosoma cruzi heat shock protein 90, putative 0.0032 0.104 1
Echinococcus multilocularis endoplasmin 0.0025 0.0659 0.6338
Trypanosoma brucei heat shock protein, putative 0.0032 0.104 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0184 1 1
Entamoeba histolytica hypothetical protein 0.0016 0.0095 0.091
Trypanosoma cruzi heat shock protein 90, putative 0.0025 0.0659 0.6338
Onchocerca volvulus 0.0184 1 1
Entamoeba histolytica leucine-rich repeat domain-containing protein 0.0016 0.0095 0.091
Giardia lamblia Grp94/Hsp90 0.0025 0.0659 0.6338
Toxoplasma gondii heat shock protein HSP90 0.0032 0.104 1
Entamoeba histolytica heat shock protein 90, putative 0.0032 0.104 1
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Echinococcus granulosus heat shock protein 90 0.0025 0.0659 0.6338
Toxoplasma gondii heat shock protein 90, putative 0.0032 0.104 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0025 0.0659 0.6338
Entamoeba histolytica hypothetical protein 0.0016 0.0095 0.091
Mycobacterium ulcerans heat shock protein 90 0.0025 0.0659 0.5
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.104 1
Plasmodium vivax heat shock protein 86, putative 0.0032 0.104 1
Brugia malayi Common central domain of tyrosinase family protein 0.0184 1 1
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Trypanosoma brucei heat shock protein 90, putative 0.0032 0.104 1
Schistosoma mansoni endoplasmin 0.0032 0.104 0.104
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Onchocerca volvulus 0.0184 1 1
Trypanosoma brucei heat shock protein, putative 0.0032 0.104 1
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.104 1
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Echinococcus granulosus endoplasmin 0.0025 0.0659 0.6338
Trypanosoma brucei heat shock protein, putative 0.0032 0.104 1
Trypanosoma brucei heat shock protein, putative 0.0032 0.104 1
Schistosoma mansoni heat shock protein 0.0032 0.104 0.104
Echinococcus multilocularis heat shock protein 0.0032 0.104 1
Plasmodium vivax endoplasmin, putative 0.0032 0.104 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0025 0.0659 0.5
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0025 0.0659 0.6338
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0184 1 1
Onchocerca volvulus 0.0184 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.104 1
Brugia malayi heat shock protein 90 0.0032 0.104 0.104
Trypanosoma cruzi Heat shock protein 83, putative 0.0032 0.104 1
Trypanosoma brucei heat shock protein, putative 0.0032 0.104 1
Entamoeba histolytica hypothetical protein 0.0016 0.0095 0.091
Trypanosoma brucei Heat shock protein 83, putative 0.0032 0.104 1
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Trypanosoma brucei heat shock protein 90, putative 0.0032 0.104 1
Loa Loa (eye worm) tyrosinase 1 0.0184 1 1
Trypanosoma brucei heat shock protein, putative 0.0032 0.104 1
Entamoeba histolytica protein kinase, putative 0.0016 0.0095 0.091
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0025 0.0659 0.6338
Giardia lamblia Heat shock protein HSP 90-alpha 0.0032 0.104 1
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0025 0.0659 0.5
Trypanosoma brucei heat shock protein, putative 0.0032 0.104 1
Trichomonas vaginalis heat shock protein, putative 0.0025 0.0659 0.6338
Plasmodium falciparum endoplasmin, putative 0.002 0.0317 0.3049
Trypanosoma brucei heat shock protein, putative 0.0032 0.104 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0025 0.0659 0.5
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Echinococcus multilocularis heat shock protein 90 0.0032 0.104 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0184 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0025 0.0659 0.6338
Schistosoma mansoni endoplasmin 0.0032 0.104 0.104
Trypanosoma cruzi heat shock protein 90, putative 0.0019 0.0274 0.2632
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Onchocerca volvulus 0.0184 1 1
Echinococcus granulosus heat shock protein 0.0032 0.104 1
Trichomonas vaginalis endoplasmin, putative 0.002 0.0317 0.3049
Trichomonas vaginalis heat shock protein, putative 0.0025 0.0659 0.6338
Echinococcus granulosus heat shock protein 90 0.0032 0.104 1
Plasmodium falciparum heat shock protein 90 0.0032 0.104 1
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Treponema pallidum heat shock protein 90 0.0025 0.0659 0.5
Loa Loa (eye worm) heat shock protein 90 0.0032 0.104 0.104
Schistosoma mansoni heat shock protein 0.0032 0.104 0.104
Entamoeba histolytica heat shock protein 90, putative 0.0032 0.104 1
Trichomonas vaginalis heat shock protein, putative 0.002 0.0317 0.3049
Schistosoma mansoni tyrosinase precursor 0.0184 1 1
Echinococcus multilocularis heat shock protein 90 0.0025 0.0659 0.6338
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0184 1 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0184 1 1
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Brugia malayi Endoplasmin precursor 0.0032 0.104 0.104
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0184 1 1
Trichomonas vaginalis heat shock protein, putative 0.0025 0.0659 0.6338
Loa Loa (eye worm) hypothetical protein 0.0184 1 1
Loa Loa (eye worm) hypothetical protein 0.0184 1 1
Leishmania major heat shock protein 83-1 0.0032 0.104 1
Schistosoma mansoni tyrosinase precursor 0.0184 1 1
Loa Loa (eye worm) endoplasmin 0.0032 0.104 0.104

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 630000 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) = 43 % 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

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

1 literature reference was collected for this gene.

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