Detailed information for compound 1535786

Basic information

Technical information
  • TDR Targets ID: 1535786
  • Name: 2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethy l]acetamide
  • MW: 287.329 | Formula: C17H18FNO2
  • H donors: 1 H acceptors: 1 LogP: 3.27 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1ccc(cc1)F)NCCOc1ccc(cc1)C
  • InChi: 1S/C17H18FNO2/c1-13-2-8-16(9-3-13)21-11-10-19-17(20)12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
  • InChiKey: KPKMAMKZMQQWMX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]ethanamide
  • ZINC02862856
  • MLS000624760
  • SMR000294981

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens transient receptor potential cation channel, subfamily V, member 1 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
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0081 0.1707 0.1639
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0026 0.0268 0.0188
Mycobacterium tuberculosis Possible oxygenase 0.0045 0.0762 0.5
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0396 1 1
Echinococcus granulosus methionine synthase reductase 0.0244 0.6013 0.598
Entamoeba histolytica type A flavoprotein, putative 0.0151 0.3564 0.5
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0396 1 1
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0151 0.3564 0.3033
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0151 0.3564 0.3033
Schistosoma mansoni diflavin oxidoreductase 0.0196 0.4749 0.4749
Loa Loa (eye worm) hypothetical protein 0.0396 1 1
Echinococcus granulosus voltage gated potassium channel 0.0026 0.0268 0.0188
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0019 0.0081 0.0081
Toxoplasma gondii flavodoxin domain-containing protein 0.0196 0.4749 1
Entamoeba histolytica type A flavoprotein, putative 0.0151 0.3564 0.5
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0151 0.3564 0.3033
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0045 0.0762 0.0686
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0396 1 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0151 0.3564 0.3511
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0396 1 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.0199 0.4828 0.4828
Schistosoma mansoni voltage-gated potassium channel 0.0026 0.0268 0.0268
Schistosoma mansoni voltage-gated potassium channel 0.0019 0.0081 0.0081
Loa Loa (eye worm) flavodoxin family protein 0.0151 0.3564 0.3511
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0072 0.1471 0.1401
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0351 0.8815 0.8805
Loa Loa (eye worm) diaphorase 0.0045 0.0762 0.0686
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0026 0.0268 0.0188
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0151 0.3564 0.3511
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0045 0.0762 0.0686
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0045 0.0762 0.0686
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0026 0.0268 0.0188
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0072 0.1471 0.1401
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0081 0.1707 0.1639
Echinococcus multilocularis cytochrome b5 reductase 4 0.0045 0.0762 0.0686
Entamoeba histolytica type A flavoprotein, putative 0.0151 0.3564 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0019 0.0081 0.0081
Trichomonas vaginalis sulfite reductase, putative 0.0396 1 1
Chlamydia trachomatis sulfite reductase 0.0244 0.6013 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0151 0.3564 0.3511
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0244 0.6013 0.6013
Brugia malayi flavodoxin family protein 0.0151 0.3564 0.3511
Schistosoma mansoni voltage-gated potassium channel 0.0088 0.1894 0.1894
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0081 0.1707 0.1639
Schistosoma mansoni cytochrome B5 0.0045 0.0762 0.0762
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0045 0.0762 0.0762
Leishmania major cytochrome P450 reductase, putative 0.0351 0.8815 0.8717
Echinococcus granulosus cytochrome b5 reductase 4 0.0045 0.0762 0.0686
Giardia lamblia Hypothetical protein 0.0351 0.8815 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0196 0.4749 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0396 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0396 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0244 0.6013 0.598
Entamoeba histolytica type A flavoprotein, putative 0.0151 0.3564 0.5
Schistosoma mansoni cytochrome P450 reductase 0.0396 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0045 0.0762 0.5
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0045 0.0762 0.5
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0045 0.0762 0.0686
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0396 1 1
Leishmania major p450 reductase, putative 0.0396 1 1
Treponema pallidum flavodoxin 0.0151 0.3564 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0081 0.1707 0.1639
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0045 0.0762 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0019 0.0081 0.0081
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0151 0.3564 0.3033
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0396 1 1
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0396 1 1
Brugia malayi FAD binding domain containing protein 0.0396 1 1
Brugia malayi diaphorase 0.0045 0.0762 0.0686
Entamoeba histolytica type A flavoprotein, putative 0.0151 0.3564 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0026 0.0268 0.0188
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0396 1 1
Plasmodium vivax hypothetical protein, conserved 0.0151 0.3564 0.3033
Onchocerca volvulus 0.0045 0.0762 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0268 0.0188
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0151 0.3564 0.3033
Leishmania major hypothetical protein, conserved 0.0151 0.3564 0.3033
Plasmodium falciparum nitric oxide synthase, putative 0.0396 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0088 0.1894 0.1894
Loa Loa (eye worm) FAD binding domain-containing protein 0.0396 1 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0396 1 1
Trypanosoma cruzi p450 reductase, putative 0.0396 1 1
Mycobacterium tuberculosis Probable monooxygenase 0.0045 0.0762 0.5
Brugia malayi FAD binding domain containing protein 0.0244 0.6013 0.598
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0396 1 1
Giardia lamblia Nitric oxide synthase, inducible 0.0351 0.8815 1
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0151 0.3564 0.3033
Plasmodium vivax flavodoxin domain containing protein 0.0351 0.8815 0.8717
Schistosoma mansoni voltage-gated potassium channel 0.0026 0.0268 0.0268
Echinococcus multilocularis methionine synthase reductase 0.0244 0.6013 0.598
Echinococcus granulosus cytochrome b5 reductase 4 0.0045 0.0762 0.0686
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0396 1 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0396 1 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0151 0.3564 0.3511
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0019 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0071 0.144 0.1369
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0019 0.0081 0.0081

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.9158 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds that Act as Agonists of the Vanilloid Receptor 1: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4515 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds that Act as Potentiators of the Vanilloid Receptor 1: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 100 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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