Detailed information for compound 1324342

Basic information

Technical information
  • TDR Targets ID: 1324342
  • Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylp henyl]-2-(4-fluorophenoxy)acetamide
  • MW: 410.825 | Formula: C22H16ClFN2O3
  • H donors: 1 H acceptors: 2 LogP: 5.39 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(ccc1C)c1nc2c(o1)ccc(c2)Cl)COc1ccc(cc1)F
  • InChi: 1S/C22H16ClFN2O3/c1-13-2-3-14(22-26-19-11-15(23)4-9-20(19)29-22)10-18(13)25-21(27)12-28-17-7-5-16(24)6-8-17/h2-11H,12H2,1H3,(H,25,27)
  • InChiKey: CJNAMNKDPMDUJF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-(4-fluorophenoxy)acetamide
  • N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-(4-fluorophenoxy)ethanamide
  • D344-2518
  • NCGC00118960-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0 0.5
Wolbachia endosymbiont of Brugia malayi DNA-directed RNA polymerase subunit beta/beta' 0.0832 1 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0 0.5
Brugia malayi ecdysteroid receptor 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0 0.5
Schistosoma mansoni coup transcription factor 0.0012 0 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0 0.5
Treponema pallidum DNA-directed RNA polymerase subunit beta 0.0832 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0012 0 0.5
Brugia malayi steroid hormone receptor 0.0012 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0 0.5
Mycobacterium leprae DNA-DIRECTED RNA POLYMERASE (BETA CHAIN) RPOB (TRANSCRIPTASE BETA CHAIN) (RNA POLYMERASE BETA SUBUNIT) 0.0832 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0012 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0 0.5
Brugia malayi nuclear hormone receptor 0.0012 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0 0.5
Onchocerca volvulus 0.0012 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0012 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Mycobacterium tuberculosis DNA-directed RNA polymerase (beta chain) RpoB (transcriptase beta chain) (RNA polymerase beta subunit) 0.0832 1 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0 0.5
Plasmodium falciparum DNA-directed RNA polymerase subunit beta, putative 0.0832 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0012 0 0.5
Mycobacterium ulcerans DNA-directed RNA polymerase subunit beta 0.0832 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0012 0 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0012 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4125 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 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
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
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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