Detailed information for compound 831265

Basic information

Technical information
  • TDR Targets ID: 831265
  • Name: 1-[(3-fluorophenyl)methyl]-6-methoxy-3-phenyl sulfonylquinolin-4-one
  • MW: 423.457 | Formula: C23H18FNO4S
  • H donors: 0 H acceptors: 3 LogP: 4.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(=O)c(cn2Cc1cccc(c1)F)S(=O)(=O)c1ccccc1
  • InChi: 1S/C23H18FNO4S/c1-29-18-10-11-21-20(13-18)23(26)22(30(27,28)19-8-3-2-4-9-19)15-25(21)14-16-6-5-7-17(24)12-16/h2-13,15H,14H2,1H3
  • InChiKey: PZTNISMCXGBQPM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(3-fluorophenyl)methyl]-6-methoxy-3-phenylsulfonyl-quinolin-4-one
  • 1-[(3-fluorophenyl)methyl]-6-methoxy-3-phenylsulfonyl-4-quinolinone
  • 1-(3-fluorobenzyl)-6-methoxy-3-phenylsulfonyl-4-quinolone

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
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0502 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0502 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0237 0.4363 0.4305
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0502 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0502 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0237 0.4363 0.4305
Schistosoma mansoni nuclear receptor nhr-48 0.0237 0.4363 0.4264
Schistosoma mansoni RAR-like nuclear receptor 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0502 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.4363 0.4363
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0237 0.4363 0.4264
Brugia malayi Nuclear hormone receptor E75 0.0237 0.4363 0.4305
Brugia malayi steroid hormone receptor 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.4363 0.4363
Brugia malayi Nuclear hormone receptor-like 1 0.0265 0.4967 0.4915
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.4967 0.4967
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0265 0.4967 0.4915
Onchocerca volvulus 0.0502 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0502 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.4363 0.4363
Schistosoma mansoni thyroid hormone receptor 0.0502 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0502 1 1
Schistosoma mansoni thyroid hormone receptor 0.0502 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0237 0.4363 0.4305
Loa Loa (eye worm) hypothetical protein 0.0502 1 1
Brugia malayi Nuclear hormone receptor E75 0.0237 0.4363 0.4305
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0237 0.4363 0.4305
Loa Loa (eye worm) hypothetical protein 0.0237 0.4363 0.4363
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0051 0.5
Loa Loa (eye worm) hypothetical protein 0.0265 0.4967 0.4967
Echinococcus multilocularis nuclear receptor nhr 48 0.0237 0.4363 0.4305
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0502 1 1
Brugia malayi nuclear receptor NHR-88 0.0502 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0502 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0502 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0265 0.4967 0.4915
Schistosoma mansoni nuclear hormone receptor 0.0237 0.4363 0.4264
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0502 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0502 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0502 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0502 1 1
Schistosoma mansoni nuclear hormone receptor 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.4363 0.4363
Brugia malayi ecdysone receptor 0.0237 0.4363 0.4305
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0051 0.5
Brugia malayi nuclear hormone receptor 0.0237 0.4363 0.4305
Brugia malayi tailless protein 0.0237 0.4363 0.4305
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0502 1 1
Brugia malayi nuclear receptor NHR-88 0.0237 0.4363 0.4305
Schistosoma mansoni zinc finger protein 0.0237 0.4363 0.4264
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0502 1 1
Brugia malayi hypothetical protein 0.0237 0.4363 0.4305
Brugia malayi nuclear hormone receptor family member odr-7 0.0237 0.4363 0.4305
Loa Loa (eye worm) hypothetical protein 0.0502 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0502 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0237 0.4363 0.4305
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0502 1 1
Brugia malayi hypothetical protein 0.0265 0.4967 0.4915
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0502 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0237 0.4363 0.4305
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0237 0.4363 0.4305
Schistosoma mansoni nuclear hormone receptor 0.0237 0.4363 0.4264
Brugia malayi conserved hypotetical protein 0.0237 0.4363 0.4305
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0237 0.4363 0.4305
Loa Loa (eye worm) hypothetical protein 0.0502 1 1
Brugia malayi nuclear receptor RXR 0.0237 0.4363 0.4305
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0237 0.4363 0.4305
Loa Loa (eye worm) steroid hormone receptor 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.4363 0.4363
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0265 0.4967 0.4967
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.4967 0.4967
Onchocerca volvulus Protein ultraspiracle homolog 0.0502 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0502 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0502 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0237 0.4363 0.4305
Echinococcus multilocularis ecdysone induced protein 78C 0.0502 1 1
Schistosoma mansoni nuclear receptor 0.0237 0.4363 0.4264
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0265 0.4967 0.4878
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0502 1 1
Brugia malayi hypothetical protein 0.0237 0.4363 0.4305
Brugia malayi nuclear receptor NHR-67 0.0237 0.4363 0.4305
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0502 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0502 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.4363 0.4363
Brugia malayi nuclear receptor RXR 0.0265 0.4967 0.4915
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0502 1 1
Loa Loa (eye worm) DR-78 0.0237 0.4363 0.4363
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0502 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0237 0.4363 0.4305
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0502 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.4363 0.4363
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0502 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0502 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0502 1 1
Schistosoma mansoni coup transcription factor 0.0502 1 1
Echinococcus granulosus FTZ F1 alpha 0.0502 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0502 1 1
Brugia malayi nuclear hormone receptor 0.0502 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.4363 0.4363
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0265 0.4967 0.4878
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0237 0.4363 0.4363
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0502 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0502 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0237 0.4363 0.4363
Brugia malayi hypothetical protein 0.0265 0.4967 0.4915
Brugia malayi Steroid receptor seven-up type 2 0.0502 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0237 0.4363 0.4305
Brugia malayi nuclear hormone receptor family member nhr-6 0.0237 0.4363 0.4305
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0237 0.4363 0.4363
Loa Loa (eye worm) hypothetical protein 0.0265 0.4967 0.4967
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0237 0.4363 0.4264
Schistosoma mansoni nuclear receptor 0.0237 0.4363 0.4264
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0502 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.4363 0.4363
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.4363 0.4363
Loa Loa (eye worm) hypothetical protein 0.0502 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0502 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0502 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0237 0.4363 0.4363
Loa Loa (eye worm) hypothetical protein 0.0237 0.4363 0.4363
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0502 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0502 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0265 0.4967 0.4915
Loa Loa (eye worm) hypothetical protein 0.0265 0.4967 0.4967
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0237 0.4363 0.4305
Brugia malayi Nuclear hormone receptor-like 1 0.0502 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0502 1 1

Activities

No activities found for this compound.

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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