Detailed information for compound 676389

Basic information

Technical information
  • TDR Targets ID: 676389
  • Name: 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulf onylamino]-N-cyclopropylacetamide
  • MW: 457.769 | Formula: C18H18BrClN2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.78 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)c1ccc(cc1)Cl)Cc1ccc(cc1)Br)NC1CC1
  • InChi: 1S/C18H18BrClN2O3S/c19-14-3-1-13(2-4-14)11-22(12-18(23)21-16-7-8-16)26(24,25)17-9-5-15(20)6-10-17/h1-6,9-10,16H,7-8,11-12H2,(H,21,23)
  • InChiKey: LXEJNEFJWJCDFR-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonyl-amino]-N-cyclopropyl-acetamide
  • 2-[(4-bromobenzyl)-(4-chlorophenyl)sulfonyl-amino]-N-cyclopropyl-acetamide
  • 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonyl-amino]-N-cyclopropyl-ethanamide
  • ZINC01163120
  • STK152191

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
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0258 0.0258
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0085 0.0074
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0253 0.1053
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0227 0.1644 0.1644
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.009 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0085 0.0074
Brugia malayi hypothetical protein 0.001 0.0019 0.0008
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.009 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0011 0.0011
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0019 0.0085 0.0085
Schistosoma mansoni zinc finger protein 0.0009 0.0011 0.0011
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0085 0.0085
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0019 0.0085 0.0085
Echinococcus granulosus Nuclear hormone receptor HR96 0.0009 0.0011 0.0011
Schistosoma mansoni retinoic acid receptor RXR 0.0019 0.0085 0.0085
Entamoeba histolytica hypothetical protein 0.0042 0.0258 0.2926
Brugia malayi hypothetical protein 0.001 0.0019 0.0008
Schistosoma mansoni patched 1 0.0041 0.0253 0.0253
Schistosoma mansoni acetylcholinesterase 0.0227 0.1644 0.1644
Echinococcus multilocularis acetylcholinesterase 0.1346 1 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0013 0.0002
Brugia malayi CHE-14 protein 0.0041 0.0253 0.0243
Loa Loa (eye worm) hypothetical protein 0.0019 0.0085 0.0074
Schistosoma mansoni hypothetical protein 0.004 0.0242 0.0242
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0019 0.0085 0.0085
Loa Loa (eye worm) hypothetical protein 0.0019 0.0085 0.0074
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0253 0.0253
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0019 0.0085 0.0074
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.009 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0009 0.0011 0.0011
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0227 0.1644 0.1644
Schistosoma mansoni hypothetical protein 0.0042 0.0258 0.0258
Loa Loa (eye worm) carboxylesterase 0.0227 0.1644 0.1635
Loa Loa (eye worm) hypothetical protein 0.1346 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1346 1 1
Onchocerca volvulus 0.0227 0.1644 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0009 0.0011 0.0011
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.009 0.0079
Brugia malayi ecdysteroid receptor 0.0019 0.0085 0.0074
Onchocerca volvulus Protein ultraspiracle homolog 0.0019 0.0085 0.0451
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0019 0.0085 0.0074
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0013 0.0001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0019 0.0085 0.0074
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0227 0.1644 1
Schistosoma mansoni thyroid hormone receptor 0.0019 0.0085 0.0085
Echinococcus multilocularis nuclear receptor nhr 48 0.0009 0.0011 0.0011
Entamoeba histolytica hypothetical protein 0.0042 0.0258 0.2926
Loa Loa (eye worm) hypothetical protein 0.001 0.0019 0.0008
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0019 0.0008
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0412 0.0412
Schistosoma mansoni hypothetical protein 0.0419 0.3079 0.3079
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0258 0.0258
Brugia malayi CXXC zinc finger family protein 0.0029 0.0165 0.0154
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0227 0.1644 0.1644
Onchocerca volvulus Bile acid receptor homolog 0.0019 0.0085 0.0451
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.009 0.009
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0674 0.0674
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0085 0.0085
Brugia malayi hypothetical protein 0.0227 0.1644 0.1635
Schistosoma mansoni cpg binding protein 0.0031 0.0178 0.0178
Echinococcus multilocularis protein patched 0.0041 0.0253 0.0253
Entamoeba histolytica hypothetical protein 0.0042 0.0258 0.2926
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0011 0.0011
Schistosoma mansoni thyroid hormone receptor 0.0019 0.0085 0.0085
Echinococcus multilocularis FTZ F1 alpha 0.0019 0.0085 0.0085
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0019 0.0008
Brugia malayi Carboxylesterase family protein 0.0227 0.1644 0.1635
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0019 0.0085 0.0451
Mycobacterium ulcerans carboxylesterase, LipT 0.0227 0.1644 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.009 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0362 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0009 0.0011 0.0011
Brugia malayi nuclear hormone receptor 0.0019 0.0085 0.0074
Echinococcus multilocularis thyroid hormone receptor alpha 0.0019 0.0085 0.0085
Brugia malayi Carboxylesterase family protein 0.0227 0.1644 0.1635
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0009 0.0011 0.0011
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.009 0.5
Echinococcus granulosus acetylcholinesterase 0.1346 1 1
Onchocerca volvulus 0.0227 0.1644 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0019 0.0085 0.0085
Echinococcus multilocularis protein dispatched 1 0.0047 0.0297 0.0297
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0019 0.0085 0.0085
Schistosoma mansoni steroid hormone receptor ad4bp 0.0019 0.0085 0.0085
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0019 0.0085 0.0074
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.001 0.0019 0.0008
Loa Loa (eye worm) carboxylesterase 0.0227 0.1644 0.1635
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.004 0.0242 0.0242
Schistosoma mansoni hypothetical protein 0.004 0.0242 0.0242
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0009 0.0011 0.0011
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.009 0.5
Echinococcus granulosus neuroligin 0.0227 0.1644 0.1644
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0019 0.0085 0.0074
Loa Loa (eye worm) hypothetical protein 0.0227 0.1644 0.1635
Loa Loa (eye worm) hypothetical protein 0.001 0.0019 0.0008
Schistosoma mansoni ap endonuclease 0.0019 0.009 0.009
Onchocerca volvulus 0.0029 0.0165 0.0944
Brugia malayi steroid hormone receptor 0.0019 0.0085 0.0074
Loa Loa (eye worm) hypothetical protein 0.0227 0.1644 0.1635
Brugia malayi Steroid receptor seven-up type 2 0.0019 0.0085 0.0074
Onchocerca volvulus 0.0019 0.0085 0.0451
Loa Loa (eye worm) hypothetical protein 0.0227 0.1644 0.1635
Schistosoma mansoni coup transcription factor 0.0019 0.0085 0.0085
Echinococcus granulosus ecdysone induced protein 78C 0.0019 0.0085 0.0085
Echinococcus granulosus geminin 0.0341 0.249 0.249
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0019 0.0085 0.0085
Brugia malayi Carboxylesterase family protein 0.0227 0.1644 0.1635
Loa Loa (eye worm) hypothetical protein 0.0019 0.0085 0.0074
Echinococcus multilocularis acetylcholinesterase 0.1346 1 1
Brugia malayi nuclear receptor NHR-88 0.0019 0.0085 0.0074
Brugia malayi hypothetical protein 0.0042 0.0258 0.0247
Loa Loa (eye worm) hypothetical protein 0.0019 0.0085 0.0074
Echinococcus granulosus thyroid hormone receptor alpha 0.0009 0.0011 0.0011
Schistosoma mansoni gliotactin 0.0227 0.1644 0.1644
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.009 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0019 0.0085 0.0085
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.009 0.009
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0019 0.0085 0.0074
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.009 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0096 0.0663 0.0653
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0009 0.0011 0.0011
Echinococcus multilocularis cpg binding protein 0.0031 0.0178 0.0178
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0019 0.0019
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.001 0.0019 0.0019
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0663 0.0663
Echinococcus granulosus para nitrobenzyl esterase 0.0227 0.1644 0.1644
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.0971 0.0971
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0019 0.0085 0.0085
Loa Loa (eye worm) hypothetical protein 0.001 0.0019 0.0008
Loa Loa (eye worm) hypothetical protein 0.0041 0.0253 0.0243
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0019 0.0085 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0019 0.0085 0.0074
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0019 0.0085 0.0085
Trichomonas vaginalis spcc417.12 protein, putative 0.0227 0.1644 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0013 0.0013
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0085 0.0085
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0009 0.0011 0.0011
Schistosoma mansoni RAR-like nuclear receptor 0.0019 0.0085 0.0085
Schistosoma mansoni nuclear receptor 0.0009 0.0011 0.0011
Echinococcus granulosus acetylcholinesterase 0.1346 1 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.0971 0.0971
Schistosoma mansoni neuroligin 3 (S09 family) 0.0227 0.1644 0.1644
Echinococcus multilocularis expressed conserved protein 0.009 0.062 0.062
Loa Loa (eye worm) hypothetical protein 0.0227 0.1644 0.1635
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0019 0.0085 0.0085
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0227 0.1644 0.1635
Echinococcus granulosus carboxylesterase 5A 0.1346 1 1
Schistosoma mansoni hypothetical protein 0.0341 0.249 0.249
Onchocerca volvulus 0.0227 0.1644 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0227 0.1644 0.1644
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0165 0.0154
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0019 0.0085 0.0085
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0019 0.0085 0.0074
Loa Loa (eye worm) hypothetical protein 0.0019 0.0085 0.0074
Brugia malayi Carboxylesterase family protein 0.0227 0.1644 0.1635
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0019 0.0085 0.0085
Schistosoma mansoni nuclear hormone receptor 0.0019 0.0085 0.0085
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.0663 0.0653
Entamoeba histolytica hypothetical protein 0.0042 0.0258 0.2926
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0019 0.0085 0.0074
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0019 0.0085 0.0085
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0019 0.0085 0.0074
Schistosoma mansoni ap endonuclease 0.0019 0.009 0.009
Loa Loa (eye worm) carboxylesterase 0.1346 1 1
Echinococcus granulosus FTZ F1 alpha 0.0019 0.0085 0.0085
Schistosoma mansoni nuclear receptor 0.0009 0.0011 0.0011
Echinococcus multilocularis neuroligin 0.0227 0.1644 0.1644
Echinococcus multilocularis carboxylesterase 5A 0.1346 1 1
Echinococcus granulosus cpg binding protein 0.0031 0.0178 0.0178
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.009 0.5
Echinococcus granulosus BC026374 protein S09 family 0.0227 0.1644 0.1644
Schistosoma mansoni BC026374 protein (S09 family) 0.0227 0.1644 0.1644
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0019 0.0085 0.0074
Echinococcus multilocularis ecdysone induced protein 78C 0.0019 0.0085 0.0085
Schistosoma mansoni cpg binding protein 0.0031 0.0178 0.0178
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.0663 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0227 0.1644 1
Echinococcus granulosus nuclear receptor nhr 48 0.0009 0.0011 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.0085 0.0074
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0227 0.1644 0.1644
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.001 0.0019 0.0019
Echinococcus multilocularis dnaJ subfamily B 0.0419 0.3079 0.3079
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0085 0.0085
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0019 0.0085 0.0074
Loa Loa (eye worm) hypothetical protein 0.001 0.0019 0.0008
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0227 0.1644 1
Echinococcus multilocularis geminin 0.0341 0.249 0.249
Loa Loa (eye worm) hypothetical protein 0.0227 0.1644 0.1635
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0253 0.0243
Onchocerca volvulus 0.0227 0.1644 1
Schistosoma mansoni cpg binding protein 0.0029 0.0165 0.0165
Loa Loa (eye worm) hypothetical protein 0.0019 0.0085 0.0074
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0085 0.0085
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.0085 0.0074
Loa Loa (eye worm) hypothetical protein 0.1346 1 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.1644 0.1635
Loa Loa (eye worm) hypothetical protein 0.001 0.0019 0.0008
Echinococcus multilocularis BC026374 protein (S09 family) 0.0227 0.1644 0.1644
Brugia malayi photoreceptor-specific nuclear receptor 0.0019 0.0085 0.0074
Schistosoma mansoni hypothetical protein 0.0341 0.249 0.249
Loa Loa (eye worm) acetylcholinesterase 1 0.1346 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.009 0.0079
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0227 0.1644 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0019 0.0085 0.0085
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0663 0.0663
Loa Loa (eye worm) hypothetical protein 0.0019 0.0085 0.0074
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.0085 0.0074
Brugia malayi Carboxylesterase family protein 0.1346 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0323 0.0312
Echinococcus granulosus expressed conserved protein 0.009 0.062 0.062
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0009 0.0011 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.0085 0.0074
Schistosoma mansoni nuclear receptor nhr-48 0.0009 0.0011 0.0011
Echinococcus granulosus dnaJ subfamily B 0.0419 0.3079 0.3079
Brugia malayi nuclear receptor RXR 0.001 0.0019 0.0008
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.0085 0.0074
Onchocerca volvulus 0.0227 0.1644 1
Schistosoma mansoni hypothetical protein 0.004 0.0242 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.0085 0.0074
Loa Loa (eye worm) steroid hormone receptor 0.0019 0.0085 0.0074
Echinococcus multilocularis para nitrobenzyl esterase 0.0227 0.1644 0.1644
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0253 0.0253
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.001 0.0019 0.0019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0019 0.0085 0.0074
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0258 0.0258
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0253 0.0253

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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