Detailed information for compound 646222

Basic information

Technical information
  • TDR Targets ID: 646222
  • Name: 2-[(4-bromophenyl)-methylsulfonylamino]-N-cyc lohexylacetamide
  • MW: 389.308 | Formula: C15H21BrN2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.92 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)C)c1ccc(cc1)Br)NC1CCCCC1
  • InChi: 1S/C15H21BrN2O3S/c1-22(20,21)18(14-9-7-12(16)8-10-14)11-15(19)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,19)
  • InChiKey: LEHUOOJZJRJAQE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-bromophenyl)-methylsulfonyl-amino]-N-cyclohexyl-acetamide
  • 2-[(4-bromophenyl)-mesyl-amino]-N-cyclohexyl-acetamide
  • 2-[(4-bromophenyl)-methylsulfonyl-amino]-N-cyclohexyl-ethanamide
  • Oprea1_312949
  • Oprea1_592623
  • 2-[(4-Bromo-phenyl)-methanesulfonyl-amino]-N-cyclohexyl-acetamide
  • BAS 02152513

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
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.3301 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.3301 0.3301
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.3301 0.3301
Loa Loa (eye worm) hypothetical protein 0.0011 0.3301 0.3301
Brugia malayi steroid hormone receptor 0.0011 0.3301 0.3301
Onchocerca volvulus 0.0011 0.3301 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 1 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.3301 0.3301
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.3301 0.3301
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 1 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.3301 0.3301
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.3301 0.3301
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.3301 0.3301
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.3301 0.3301
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.3301 0.3301
Loa Loa (eye worm) hypothetical protein 0.0011 0.3301 0.3301
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.3301 0.3301
Toxoplasma gondii exonuclease III APE 0.0021 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.3301 0.3301
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.3301 0.3301
Brugia malayi nuclear receptor NHR-88 0.0011 0.3301 0.3301
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.3301 0.3301
Loa Loa (eye worm) hypothetical protein 0.0011 0.3301 0.3301
Brugia malayi nuclear hormone receptor 0.0011 0.3301 0.3301
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.3301 0.3301
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.3301 0.3301
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.3301 0.3301
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.3301 0.3301
Echinococcus granulosus FTZ F1 alpha 0.0011 0.3301 0.3301
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.3301 0.3301
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.3301 0.3301
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.3301 0.3301
Schistosoma mansoni ap endonuclease 0.0021 1 1
Schistosoma mansoni ap endonuclease 0.0021 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.3301 0.3301
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 1 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 1 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.3301 0.3301
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.3301 0.3301
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.3301 0.3301
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.3301 0.3301
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.3301 0.3301
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 1 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.3301 0.3301
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.3301 0.3301
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.3301 0.3301
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.3301 0.3301
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.3301 0.3301
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.3301 0.3301
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.3301 0.3301
Schistosoma mansoni coup transcription factor 0.0011 0.3301 0.3301
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 1 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.3301 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0021 1 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.3301 0.3301
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.3301 0.3301
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.3301 0.3301
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.3301 0.3301
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.3301 0.3301
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.3301 0.3301
Schistosoma mansoni thyroid hormone receptor 0.0011 0.3301 0.3301
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.3301 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.3301 0.3301
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.3301 0.3301
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.3301 0.3301
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.3301 0.3301
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.3301 0.3301
Brugia malayi ecdysteroid receptor 0.0011 0.3301 0.3301
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.3301 0.3301
Trichomonas vaginalis ap endonuclease, putative 0.0021 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.3301 0.3301
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 1 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.3301 0.3301
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.3301 0.3301
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.3301 0.3301
Loa Loa (eye worm) hypothetical protein 0.0011 0.3301 0.3301
Loa Loa (eye worm) hypothetical protein 0.0011 0.3301 0.3301
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.3301 0.3301
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.3301 0.3301
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 1 0.5
Schistosoma mansoni nuclear hormone receptor 0.0011 0.3301 0.3301
Schistosoma mansoni thyroid hormone receptor 0.0011 0.3301 0.3301
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.3301 0.3301
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.3301 0.3301
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 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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