Detailed information for compound 1410248

Basic information

Technical information
  • TDR Targets ID: 1410248
  • Name: N-(3-fluoro-4-methylphenyl)-3-(2-methylphenox y)propanamide
  • MW: 287.329 | Formula: C17H18FNO2
  • H donors: 1 H acceptors: 1 LogP: 3.53 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)F)C)CCOc1ccccc1C
  • InChi: 1S/C17H18FNO2/c1-12-7-8-14(11-15(12)18)19-17(20)9-10-21-16-6-4-3-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
  • InChiKey: PITGZDCLHSSKOK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-fluoro-4-methyl-phenyl)-3-(2-methylphenoxy)propanamide
  • N-(3-fluoro-4-methyl-phenyl)-3-(2-methylphenoxy)propionamide
  • SMR000278975
  • Oprea1_396862
  • ZINC00319229
  • BAS 01923352
  • N-(3-Fluoro-4-methyl-phenyl)-3-o-tolyloxy-propionamide
  • Oprea1_864667
  • MLS000765869

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
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 histone lysine N methyltransferase SETMAR 0.0036 0.0431 0.0084
Plasmodium vivax pyruvate kinase, putative 0.0449 1 1
Trichomonas vaginalis pyruvate kinase, putative 0.0449 1 1
Brugia malayi pyruvate kinase 0.0095 0.1788 0.1788
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0136 0.2744 0.2744
Wolbachia endosymbiont of Brugia malayi pyruvate phosphate dikinase 0.0188 0.3948 0.5
Schistosoma mansoni pyruvate kinase 0.0449 1 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0449 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0431 0.0084
Onchocerca volvulus Pyruvate kinase homolog 0.0449 1 1
Echinococcus granulosus pyruvate kinase 0.0449 1 1
Echinococcus multilocularis pyruvate kinase 0.0449 1 1
Loa Loa (eye worm) pyruvate kinase 0.0449 1 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0449 1 1
Mycobacterium ulcerans pyruvate kinase 0.0449 1 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0313 0.6852 0.6852
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.035 0.035
Echinococcus granulosus pyruvate kinase 0.023 0.4936 0.4752
Giardia lamblia Pyruvate kinase 0.0449 1 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0431 0.0084
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0431 0.0084
Loa Loa (eye worm) pyruvate kinase 0.0095 0.1788 0.1788
Brugia malayi Pyruvate kinase, M2 isozyme 0.0449 1 1
Echinococcus granulosus pyruvate kinase 0.023 0.4936 0.4752
Loa Loa (eye worm) hypothetical protein 0.0313 0.6852 0.6852
Echinococcus granulosus pyruvate kinase 0.0449 1 1
Echinococcus multilocularis pyruvate kinase 0.023 0.4936 0.4752
Loa Loa (eye worm) hypothetical protein 0.0449 1 1
Leishmania major pyruvate kinase 0.0449 1 1
Onchocerca volvulus 0.0286 0.6225 0.6088
Onchocerca volvulus Pyruvate kinase homolog 0.0449 1 1
Toxoplasma gondii pyruvate kinase PyK1 0.0449 1 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0431 0.0431
Loa Loa (eye worm) intermediate filament protein 0.0033 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0036 0.0431 0.0431
Brugia malayi Pre-SET motif family protein 0.0251 0.542 0.542
Loa Loa (eye worm) pyruvate kinase 0.0449 1 1
Trypanosoma brucei pyruvate kinase 1 0.0449 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.035 0.035
Brugia malayi intermediate filament protein 0.0033 0.035 0.035
Echinococcus multilocularis pyruvate kinase 0.023 0.4936 0.4752
Onchocerca volvulus Pyruvate kinase homolog 0.0449 1 1
Loa Loa (eye worm) pyruvate kinase 0.0449 1 1
Trichomonas vaginalis pyruvate kinase, putative 0.0449 1 1
Entamoeba histolytica pyruvate kinase, putative 0.0313 0.6852 1
Schistosoma mansoni pyruvate kinase 0.023 0.4936 0.4752
Schistosoma mansoni pyruvate kinase 0.0449 1 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0449 1 1
Plasmodium vivax pyruvate kinase 2, putative 0.023 0.4936 0.4708
Loa Loa (eye worm) hypothetical protein 0.0033 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0032 0.0337 0.0337
Echinococcus multilocularis pyruvate kinase 0.0449 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.04 0.0052
Giardia lamblia Pyruvate kinase 0.023 0.4936 0.1633
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0431 0.0084
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0431 0.0084
Mycobacterium leprae Probable pyruvate kinase PykA 0.0449 1 1
Chlamydia trachomatis pyruvate kinase 0.0449 1 1
Treponema pallidum pyruvate phosphate dikinase 0.0188 0.3948 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0431 0.0084
Toxoplasma gondii pyruvate kinase PyKII 0.023 0.4936 0.4708
Echinococcus multilocularis pyruvate kinase 0.0354 0.7808 0.7728
Trypanosoma cruzi pyruvate kinase 2, putative 0.0449 1 1
Plasmodium falciparum pyruvate kinase 0.0449 1 1
Onchocerca volvulus 0.0036 0.0431 0.0084
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.542 0.542
Leishmania major pyruvate kinase 0.0449 1 1
Brugia malayi pyruvate kinase, muscle isozyme 0.0095 0.1788 0.1788
Echinococcus multilocularis pyruvate kinase 0.023 0.4936 0.4752
Echinococcus granulosus pyruvate kinase 0.023 0.4936 0.4752
Trichomonas vaginalis set domain proteins, putative 0.0286 0.6225 0.3763

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0794 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 21.3313 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) 22.3872 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6294 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) 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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