Detailed information for compound 1418255

Basic information

Technical information
  • TDR Targets ID: 1418255
  • Name: N-ethyl-2-[4-(phenylmethoxy)phenoxy]acetamide
  • MW: 285.338 | Formula: C17H19NO3
  • H donors: 1 H acceptors: 1 LogP: 3.07 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)COc1ccc(cc1)OCc1ccccc1
  • InChi: 1S/C17H19NO3/c1-2-18-17(19)13-21-16-10-8-15(9-11-16)20-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,18,19)
  • InChiKey: SBENZQSLRYKJEL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(benzyloxy)phenoxy]-N-ethyl-acetamide
  • N-ethyl-2-[4-(phenylmethoxy)phenoxy]ethanamide
  • 2-[4-(benzyloxy)phenoxy]-N-ethylacetamide
  • MLS000676125
  • SMR000296780
  • ZINC01069045

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No 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
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0261 1
Loa Loa (eye worm) hypothetical protein 0.0461 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0261 0.5
Schistosoma mansoni hypothetical protein 0.0065 0.0879 0.1209
Schistosoma mansoni hypothetical protein 0.0065 0.0879 0.1209
Brugia malayi beta-lactamase family protein 0.0038 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0205 0.4097 0.4097
Schistosoma mansoni tar DNA-binding protein 0.026 0.5373 1
Schistosoma mansoni hypothetical protein 0.0065 0.0879 0.1209
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0205 0.4097 0.4097
Loa Loa (eye worm) hypothetical protein 0.014 0.2608 0.2608
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0261 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0241 0.4927 0.4927
Mycobacterium leprae Probable lipase LipE 0.0038 0.0261 0.5
Brugia malayi beta-lactamase family protein 0.0038 0.0261 0.0261
Toxoplasma gondii ABC1 family protein 0.0038 0.0261 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.0389 0.025
Schistosoma mansoni tar DNA-binding protein 0.026 0.5373 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.0879 0.1209
Brugia malayi latrophilin 2 splice variant baaae 0.014 0.2608 0.2608
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.0879 0.1209
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0242 0.4958 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.0879 0.0879
Entamoeba histolytica hypothetical protein 0.0043 0.0389 0.5
Loa Loa (eye worm) TAR-binding protein 0.026 0.5373 0.5373
Brugia malayi RNA recognition motif domain containing protein 0.026 0.5373 0.5373
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0261 1
Schistosoma mansoni hypothetical protein 0.0065 0.0879 0.1209
Entamoeba histolytica hypothetical protein 0.0043 0.0389 0.5
Mycobacterium ulcerans beta-lactamase 0.0038 0.0261 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0205 0.4097 0.4097
Loa Loa (eye worm) RNA binding protein 0.026 0.5373 0.5373
Onchocerca volvulus 0.0461 1 1
Schistosoma mansoni tar DNA-binding protein 0.026 0.5373 1
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0261 0.5
Brugia malayi beta-lactamase 0.0038 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0038 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0065 0.0879 0.0879
Leishmania major hypothetical protein, conserved 0.0038 0.0261 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.0879 0.1209
Brugia malayi TAR-binding protein 0.026 0.5373 0.5373
Schistosoma mansoni tar DNA-binding protein 0.026 0.5373 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0389 0.025
Entamoeba histolytica hypothetical protein 0.0043 0.0389 0.5
Echinococcus granulosus GPCR family 2 0.0065 0.0879 0.1209
Loa Loa (eye worm) hypothetical protein 0.0038 0.0261 0.0261
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0 0.5
Schistosoma mansoni hypothetical protein 0.014 0.2608 0.459
Echinococcus multilocularis tar DNA binding protein 0.026 0.5373 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0261 0.0261
Mycobacterium ulcerans hypothetical protein 0.0038 0.0261 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0261 0.0261
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0389 0.025
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.0879 0.0879
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0261 0.5
Echinococcus granulosus tar DNA binding protein 0.026 0.5373 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.0879 0.1209
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0261 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0261 0.0261
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0261 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0389 0.5
Brugia malayi hypothetical protein 0.0043 0.0389 0.0389
Brugia malayi RNA binding protein 0.026 0.5373 0.5373
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0389 0.025
Brugia malayi MH2 domain containing protein 0.0241 0.4927 0.4927
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0261 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0261 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0038 0.0261 0.0261
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0261 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0261 0.0261
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.026 0.5373 0.5373
Loa Loa (eye worm) MH2 domain-containing protein 0.0241 0.4927 0.4927
Schistosoma mansoni tar DNA-binding protein 0.026 0.5373 1
Trichomonas vaginalis esterase, putative 0.0038 0.0261 0.5
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0261 1
Brugia malayi Latrophilin receptor protein 2 0.0065 0.0879 0.0879
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0205 0.4097 0.4097
Mycobacterium ulcerans lipase LipD 0.0038 0.0261 0.5
Loa Loa (eye worm) beta-lactamase 0.0038 0.0261 0.0261
Echinococcus multilocularis GPCR, family 2 0.0065 0.0879 0.1209

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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