Detailed information for compound 426514

Basic information

Technical information
  • TDR Targets ID: 426514
  • Name: N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl] -2-[4-(trifluoromethyl)phenyl]acetamide
  • MW: 414.463 | Formula: C24H25F3N2O
  • H donors: 1 H acceptors: 1 LogP: 5.19 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCC(c1ccc2c(c1)cccc2)NC(=O)Cc1ccc(cc1)C(F)(F)F)C
  • InChi: 1S/C24H25F3N2O/c1-29(2)14-13-22(20-10-9-18-5-3-4-6-19(18)16-20)28-23(30)15-17-7-11-21(12-8-17)24(25,26)27/h3-12,16,22H,13-15H2,1-2H3,(H,28,30)
  • InChiKey: IMWWZKMBTJIMCE-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[3-(dimethylamino)-1-(2-naphthyl)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
  • N-[3-(dimethylamino)-1-(2-naphthalenyl)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
  • N-[3-(dimethylamino)-1-naphthalen-2-yl-propyl]-2-[4-(trifluoromethyl)phenyl]ethanamide
  • N-(3-dimethylamino-1-naphthalen-2-ylpropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
  • N-[3-dimethylamino-1-(2-naphthyl)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
  • N-(3-dimethylamino-1-naphthalen-2-yl-propyl)-2-[4-(trifluoromethyl)phenyl]ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens urotensin 2 receptor 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni integrin beta subunit 0.1216 0.5165 0.9715
Onchocerca volvulus 0.0325 0.0195 0.5
Brugia malayi Cation transporter family protein 0.0325 0.0195 0.0027
Loa Loa (eye worm) hypothetical protein 0.0976 0.3826 0.3826
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0325 0.0195 0.0367
Onchocerca volvulus 0.0325 0.0195 0.5
Loa Loa (eye worm) kelch domain-containing protein family protein 0.032 0.0168 0.0168
Echinococcus granulosus integrin beta 2 0.1537 0.6952 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0325 0.0195 0.0367
Schistosoma mansoni integrin alpha-ps 0.0557 0.149 0.2803
Echinococcus granulosus small conductance calcium activated potassium 0.0846 0.31 0.2948
Echinococcus multilocularis small conductance calcium activated potassium 0.0846 0.31 0.2948
Schistosoma mansoni calcium-activated potassium channel 0.0594 0.1692 0.3183
Echinococcus granulosus integrin alpha 3 0.0953 0.3697 0.4041
Echinococcus multilocularis integrin alpha 3 0.0953 0.3697 0.4041
Loa Loa (eye worm) hypothetical protein 0.0846 0.31 0.31
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0708 0.2331 0.22
Loa Loa (eye worm) hypothetical protein 0.0686 0.2207 0.2207
Loa Loa (eye worm) hypothetical protein 0.0313 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.032 0.0168 0.0168
Loa Loa (eye worm) integrin beta-2 0.2083 1 1
Echinococcus multilocularis integrin beta 2 0.1537 0.6952 1
Schistosoma mansoni calcium-activated potassium channel 0.0846 0.31 0.5831
Brugia malayi Integrin alpha pat-2 precursor 0.1243 0.5316 0.5236
Loa Loa (eye worm) hypothetical protein 0.0708 0.2331 0.2331
Loa Loa (eye worm) hypothetical protein 0.0325 0.0195 0.0195
Schistosoma mansoni hypothetical protein 0.0846 0.31 0.5831
Schistosoma mansoni integrin alpha 0.1243 0.5316 1
Loa Loa (eye worm) integrin alpha pat-2 0.1684 0.7776 0.7776
Loa Loa (eye worm) hypothetical protein 0.0325 0.0195 0.0195
Onchocerca volvulus 0.0325 0.0195 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = -6.24 Agonist activity at human urotensin2 receptor transfected in NIH3T3 cells after 5 days by R-SAT assay ChEMBL. 17112638
Efficacy (functional) = 40 % Agonist activity at human urotensin2 receptor transfected in NIH3T3 cells after 5 days by R-SAT assay relative to urotensin-2 ChEMBL. 17112638
Efficacy (functional) = 40 % Agonist activity at human urotensin2 receptor transfected in NIH3T3 cells after 5 days by R-SAT assay relative to urotensin-2 ChEMBL. 17112638
Log EC50 (functional) = 6.24 Agonist activity at human urotensin2 receptor transfected in NIH3T3 cells after 5 days by R-SAT assay ChEMBL. 17112638

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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