Detailed information for compound 1411594

Basic information

Technical information
  • TDR Targets ID: 1411594
  • Name: 2-[2-(4-fluorophenyl)-2-oxoethoxy]-N-(4-methy lphenyl)benzamide
  • MW: 363.382 | Formula: C22H18FNO3
  • H donors: 1 H acceptors: 2 LogP: 4.6 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)NC(=O)c1ccccc1OCC(=O)c1ccc(cc1)F
  • InChi: 1S/C22H18FNO3/c1-15-6-12-18(13-7-15)24-22(26)19-4-2-3-5-21(19)27-14-20(25)16-8-10-17(23)11-9-16/h2-13H,14H2,1H3,(H,24,26)
  • InChiKey: IUSVXDMKTLXCLM-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[2-(4-fluorophenyl)-2-oxo-ethoxy]-N-(4-methylphenyl)benzamide
  • 2-[2-(4-fluorophenyl)-2-keto-ethoxy]-N-(4-methylphenyl)benzamide
  • AK-918/42293924
  • ZINC00993171
  • STK264262
  • MLS000701771
  • SMR000227067

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 RecQ helicase-like Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Giardia lamblia U5 small nuclear ribonucleoprotein 200 kDa helicase, putative RecQ helicase-like 649 aa 521 aa 19.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni coup transcription factor 0.0012 0.3292 0.3292
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.3292 0.3292
Loa Loa (eye worm) hypothetical protein 0.0012 0.3292 0.3292
Brugia malayi nuclear hormone receptor 0.0012 0.3292 0.3292
Schistosoma mansoni thyroid hormone receptor 0.0012 0.3292 0.3292
Entamoeba histolytica recQ family DNA helicase 0.0012 0.3289 0.0381
Schistosoma mansoni blooms syndrome DNA helicase 0.0012 0.3289 0.3289
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.3292 0.3292
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.3292 0.3292
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.3292 0.3292
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.3292 0.3292
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.3292 0.3292
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.3292 0.3292
Loa Loa (eye worm) hypothetical protein 0.0012 0.3292 0.3292
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.3292 0.3292
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.3292 0.3292
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.3292 0.3292
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0024 1 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.3292 0.3292
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 1 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0024 1 1
Trichomonas vaginalis DNA helicase recq, putative 0.0024 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.3292 0.3292
Trichomonas vaginalis DNA helicase recq, putative 0.0024 1 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.3292 0.3292
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.3292 0.3292
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.3292 0.3292
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.3292 0.3292
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.3292 0.3292
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.3292 0.3292
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0024 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.3292 0.3292
Schistosoma mansoni thyroid hormone receptor 0.0012 0.3292 0.3292
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.3292 0.3292
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.3292 0.3292
Loa Loa (eye worm) hypothetical protein 0.0012 0.3292 0.3292
Echinococcus multilocularis bloom syndrome protein 0.0024 1 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0012 0.3289 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.3292 0.3292
Echinococcus granulosus FTZ F1 alpha 0.0012 0.3292 0.3292
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.3289 0.0381
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0024 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.3292 0.5
Schistosoma mansoni blooms syndrome DNA helicase 0.0012 0.3024 0.3024
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 1 0.5
Treponema pallidum ATP-dependent DNA helicase 0.0012 0.3289 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.3292 0.3292
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.3292 0.3292
Loa Loa (eye worm) hypothetical protein 0.0012 0.3292 0.3292
Echinococcus granulosus bloom syndrome protein 0.0024 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.3292 0.3292
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.3292 0.3292
Onchocerca volvulus 0.0012 0.3292 0.5
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0024 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.3292 0.3292
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 1 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.3292 0.3292
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.3292 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.3292 0.3292
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.3292 0.3292
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.3292 0.3292
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0024 1 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 1 1
Brugia malayi steroid hormone receptor 0.0012 0.3292 0.3292
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.3292 0.3292
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.3292 0.3292
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.3292 0.3292
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.3292 0.3292
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.3292 0.3292
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.3292 0.3292
Loa Loa (eye worm) hypothetical protein 0.0012 0.3289 0.3289
Schistosoma mansoni DNA helicase recq5 0.0024 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.3292 0.3292
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.3292 0.3292
Loa Loa (eye worm) RecQ helicase 0.0024 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.3292 0.3292
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.3292 0.3292
Schistosoma mansoni nuclear hormone receptor 0.0012 0.3292 0.3292
Giardia lamblia Sgs1 DNA helicase, putative 0.0024 1 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.3292 0.3292
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.3292 0.3292
Loa Loa (eye worm) hypothetical protein 0.0012 0.3292 0.3292
Loa Loa (eye worm) hypothetical protein 0.0024 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0024 1 1
Entamoeba histolytica recQ family helicase, putative 0.0024 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.3292 0.3292
Brugia malayi Bloom's syndrome protein homolog 0.0024 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.3292 0.3292
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.3292 0.3292
Brugia malayi nuclear receptor NHR-88 0.0012 0.3292 0.3292
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.3292 0.3292
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.3292 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.3289 0.3289
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.3292 0.3292
Schistosoma mansoni DNA helicase recq1 0.0024 1 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.3292 0.3292
Brugia malayi ecdysteroid receptor 0.0012 0.3292 0.3292
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.3292 0.3292
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.3292 0.3292
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.3292 0.3292
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.3292 0.3292

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 89.235 uM PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response assay for biased ligands (agonists) of the melanocortin 4 receptor (MC4R). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2944 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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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