Detailed information for compound 877177

Basic information

Technical information
  • TDR Targets ID: 877177
  • Name: N-[2-[2-(phenoxy)ethoxy]-5-(trifluoromethyl)p henyl]acetamide
  • MW: 339.309 | Formula: C17H16F3NO3
  • H donors: 1 H acceptors: 1 LogP: 3.62 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cc(ccc1OCCOc1ccccc1)C(F)(F)F
  • InChi: 1S/C17H16F3NO3/c1-12(22)21-15-11-13(17(18,19)20)7-8-16(15)24-10-9-23-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,21,22)
  • InChiKey: SGQURWGBDIDGKF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[2-(phenoxy)ethoxy]-5-(trifluoromethyl)phenyl]ethanamide
  • ZINC01797106
  • MLS000550183
  • N-[2-(2-phenoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
  • SMR000115705
  • AP-906/42288057

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0865 1 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0291 0.2791 0.2791
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0069 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.01 0.01
Entamoeba histolytica prolyl oligopeptidase family protein 0.0069 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.01 0.01
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0069 0 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0291 0.2791 0.2791
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.01 0.01
Brugia malayi RNA binding protein 0.0076 0.01 0.01
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0309 0.3023 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0069 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.01 0.01
Schistosoma mansoni tar DNA-binding protein 0.0076 0.01 0.01
Loa Loa (eye worm) TAR-binding protein 0.0076 0.01 0.01
Brugia malayi TAR-binding protein 0.0076 0.01 0.01
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0291 0.2791 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0339 0.0339
Echinococcus granulosus tar DNA binding protein 0.0076 0.01 0.01
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0309 0.3023 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0096 0.0339 0.0339
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0291 0.2791 1
Echinococcus multilocularis serotonin receptor 0.0096 0.0339 0.0339
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0291 0.2791 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0865 1 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0069 0 0.5
Brugia malayi hypothetical protein 0.0222 0.193 0.193
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0309 0.3023 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0096 0.0339 0.0339
Entamoeba histolytica prolyl oligopeptidase family protein 0.0069 0 0.5
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0309 0.3023 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0339 0.0339
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0291 0.2791 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0291 0.2791 0.2791
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0069 0 0.5
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0309 0.3023 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0069 0 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0865 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.01 0.01
Schistosoma mansoni tar DNA-binding protein 0.0076 0.01 0.01
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0309 0.3023 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0069 0 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0275 0.2593 0.2593
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0291 0.2791 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.01 0.01
Echinococcus granulosus biogenic amine 5HT receptor 0.0275 0.2593 0.2593
Loa Loa (eye worm) hypothetical protein 0.0222 0.193 0.193
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0309 0.3023 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0069 0 0.5
Echinococcus granulosus Dipeptidyl peptidase 9 0.0291 0.2791 0.2791
Schistosoma mansoni tar DNA-binding protein 0.0076 0.01 0.01
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0865 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0291 0.2791 1
Echinococcus multilocularis serotonin receptor 0.0096 0.0339 0.0339
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0309 0.3023 0.5
Giardia lamblia Alanyl dipeptidyl peptidase 0.0069 0 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.0865 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0275 0.2593 0.2593
Entamoeba histolytica hypothetical protein, conserved 0.0069 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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