Detailed information for compound 321621

Basic information

Technical information
  • TDR Targets ID: 321621
  • Name: 4-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(3-fluo rophenyl)naphthalene-1-carboxamide
  • MW: 432.419 | Formula: C25H18F2N2O3
  • H donors: 2 H acceptors: 2 LogP: 5.08 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)F)COc1ccc(c2c1cccc2)C(=O)Nc1cccc(c1)F
  • InChi: 1S/C25H18F2N2O3/c26-16-8-10-18(11-9-16)28-24(30)15-32-23-13-12-22(20-6-1-2-7-21(20)23)25(31)29-19-5-3-4-17(27)14-19/h1-14H,15H2,(H,28,30)(H,29,31)
  • InChiKey: OYYPNYHQIYAMSG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[2-(4-fluoroanilino)-2-oxo-ethoxy]-N-(3-fluorophenyl)naphthalene-1-carboxamide
  • 4-[2-(4-fluoroanilino)-2-oxoethoxy]-N-(3-fluorophenyl)-1-naphthalenecarboxamide
  • N-(3-fluorophenyl)-4-[2-[(4-fluorophenyl)amino]-2-oxo-ethoxy]naphthalene-1-carboxamide
  • 4-[2-(4-fluoroanilino)-2-keto-ethoxy]-N-(3-fluorophenyl)-1-naphthamide
  • N-(3-fluorophenyl)-4-[2-[(4-fluorophenyl)amino]-2-oxoethoxy]naphthalene-1-carboxamide
  • N-(3-fluorophenyl)-4-[2-[(4-fluorophenyl)amino]-2-oxoethoxy]-1-naphthalenecarboxamide
  • N-(3-fluorophenyl)-4-[2-[(4-fluorophenyl)amino]-2-keto-ethoxy]-1-naphthamide

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
Loa Loa (eye worm) hypothetical protein 0.0099 0.0384 0.073
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0099 0.0384 0.067
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0099 0.0384 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0099 0.0384 0.073
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0584 0.5257 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0099 0.0384 0.0384
Onchocerca volvulus Bile acid receptor homolog 0.0099 0.0384 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0099 0.0384 0.0426
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0099 0.0384 0.073
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0099 0.0384 0.067
Schistosoma mansoni thyroid hormone receptor 0.1055 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0099 0.0384 0.067
Brugia malayi Nuclear hormone receptor-like 1 0.0631 0.5728 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0099 0.0384 0.0384
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0099 0.0384 0.067
Brugia malayi photoreceptor-specific nuclear receptor 0.0099 0.0384 0.067
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0099 0.0384 0.067
Schistosoma mansoni coup transcription factor 0.0099 0.0384 0.0384
Loa Loa (eye worm) steroid hormone receptor 0.0099 0.0384 0.073
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0099 0.0384 0.0426
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0099 0.0384 0.0384
Loa Loa (eye worm) hypothetical protein 0.0099 0.0384 0.073
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0956 0.9002 0.9002
Loa Loa (eye worm) hypothetical protein 0.0099 0.0384 0.073
Echinococcus granulosus ecdysone induced protein 78C 0.0099 0.0384 0.0426
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0099 0.0384 0.073
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0099 0.0384 0.0384
Onchocerca volvulus 0.0099 0.0384 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0099 0.0384 0.073
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0099 0.0384 0.067
Brugia malayi nuclear receptor NHR-88 0.0099 0.0384 0.067
Echinococcus granulosus FTZ F1 alpha 0.0099 0.0384 0.0426
Echinococcus multilocularis FTZ F1 alpha 0.0099 0.0384 0.0384
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0099 0.0384 0.067
Loa Loa (eye worm) hypothetical protein 0.0099 0.0384 0.073
Onchocerca volvulus Protein ultraspiracle homolog 0.0099 0.0384 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0099 0.0384 0.073
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0099 0.0384 0.0426
Loa Loa (eye worm) hypothetical protein 0.0099 0.0384 0.073
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0099 0.0384 0.067
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0099 0.0384 0.0384
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0099 0.0384 0.067
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0099 0.0384 0.0384
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0099 0.0384 0.0384
Schistosoma mansoni retinoic acid receptor RXR 0.0099 0.0384 0.0384
Brugia malayi Nuclear hormone receptor-like 1 0.0584 0.5257 0.9178
Schistosoma mansoni hypothetical protein 0.0956 0.9002 0.9002
Schistosoma mansoni nuclear hormone receptor 0.0099 0.0384 0.0384
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0099 0.0384 0.0384
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0099 0.0384 0.067
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0099 0.0384 0.0384
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0099 0.0384 0.0426
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0099 0.0384 0.0384
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0099 0.0384 0.0426
Loa Loa (eye worm) hypothetical protein 0.0578 0.52 0.9893
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0956 0.9002 1
Brugia malayi steroid hormone receptor 0.0099 0.0384 0.067
Echinococcus multilocularis ecdysone induced protein 78C 0.0099 0.0384 0.0384
Brugia malayi Nuclear hormone receptor-like 1 0.0584 0.5257 0.9178
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0099 0.0384 0.0384
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0099 0.0384 0.067
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0099 0.0384 0.0426
Brugia malayi Steroid receptor seven-up type 2 0.0099 0.0384 0.067
Schistosoma mansoni RAR-like nuclear receptor 0.0099 0.0384 0.0384
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0099 0.0384 0.0384
Loa Loa (eye worm) hypothetical protein 0.0099 0.0384 0.073
Brugia malayi ecdysteroid receptor 0.0099 0.0384 0.067
Loa Loa (eye worm) hypothetical protein 0.0099 0.0384 0.073
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0099 0.0384 0.0426
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0099 0.0384 0.067
Loa Loa (eye worm) hypothetical protein 0.0099 0.0384 0.073
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0099 0.0384 0.0384
Schistosoma mansoni thyroid hormone receptor 0.1055 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0099 0.0384 0.073
Brugia malayi nuclear hormone receptor 0.0099 0.0384 0.067
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0099 0.0384 0.073
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0099 0.0384 0.067

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 293 uM Antagonistic activity against HOXA1-PBX1/DNA complex formation by electrophoretic mobility shift assay ChEMBL. 15225688

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

1 literature reference was collected for this gene.

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