Detailed information for compound 421657

Basic information

Technical information
  • TDR Targets ID: 421657
  • Name: 4-amino-N-(3-chlorophenyl)benzenesulfonamide
  • MW: 282.746 | Formula: C12H11ClN2O2S
  • H donors: 2 H acceptors: 2 LogP: 2.39 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)Cl
  • InChi: 1S/C12H11ClN2O2S/c13-9-2-1-3-11(8-9)15-18(16,17)12-6-4-10(14)5-7-12/h1-8,15H,14H2
  • InChiKey: ZVOMLEQGMOLOEM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-azanyl-N-(3-chlorophenyl)benzenesulfonamide
  • 19837-81-1
  • ZINC03240093

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
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0147 0.5708 1
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0088 0.0155
Loa Loa (eye worm) plexin A 0.0024 0.0211 0.0258
Brugia malayi nuclear hormone receptor 0.0021 0.0088 0.0109
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0088 0.0155
Plasmodium vivax hypothetical protein, conserved 0.0019 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0088 0.0109
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0088 0.0155
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0088 0.0155
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0088 0.0155
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0147 0.5708 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0088 0.0109
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0244 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0147 0.5708 1
Onchocerca volvulus 0.0021 0.0088 0.0055
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0088 0.0109
Schistosoma mansoni coup transcription factor 0.0021 0.0088 0.0155
Loa Loa (eye worm) hypothetical protein 0.0202 0.8151 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0088 0.0155
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0088 0.0109
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0088 0.0055
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0061 0.1857 0.1857
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.005 0.1369 0.1369
Loa Loa (eye worm) hypothetical protein 0.0021 0.0088 0.0109
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0088 0.0109
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0168 0.6651 0.6651
Entamoeba histolytica hypothetical protein, conserved 0.0019 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0075 0.2485 1
Brugia malayi NAD-dependent deacetylase SIRT1 0.0147 0.5708 0.7002
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.005 0.1369 0.1369
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0088 0.0155
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0088 0.0109
Loa Loa (eye worm) hypothetical protein 0.0021 0.0088 0.0109
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0088 0.0155
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0088 0.0155
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0019 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0088 0.0109
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0168 0.6651 0.6651
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0244 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0088 0.0109
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0088 0.0109
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0088 0.0109
Mycobacterium ulcerans hypothetical protein 0.0075 0.2485 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0019 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0088 0.0109
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0147 0.5708 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.5708 0.7002
Loa Loa (eye worm) hypothetical protein 0.0021 0.0088 0.0109
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0088 0.0155
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0088 0.0109
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0088 0.0109
Loa Loa (eye worm) hypothetical protein 0.0021 0.0088 0.0109
Brugia malayi plexin A 0.0024 0.0211 0.0258
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0088 0.0155
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0088 0.0109
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0147 0.5708 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0088 0.0109
Brugia malayi ecdysteroid receptor 0.0202 0.8151 1
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0147 0.5708 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0088 0.0109
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0019 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0021 0.0088 0.0109
Trypanosoma brucei DNA polymerase beta thumb, putative 0.005 0.1369 0.1369
Toxoplasma gondii hypothetical protein 0.0057 0.1697 1
Brugia malayi steroid hormone receptor 0.0021 0.0088 0.0109
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0088 0.0155
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0088 0.0155
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0168 0.6651 0.6651
Plasmodium vivax NAD-dependent deacetylase, putative 0.0019 0 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0088 0.0155
Echinococcus granulosus plexin a4 0.0024 0.0211 0.0369
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0088 0.0055
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0088 0.0155
Onchocerca volvulus Bile acid receptor homolog 0.0202 0.8151 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0147 0.5708 1
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0088 0.0155
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0088 0.0155
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0088 0.0109
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0088 0.0155
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0088 0.0155
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0088 0.0109
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0088 0.0155
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0088 0.0109
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0088 0.0155
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0088 0.0155
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0088 0.0155
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0088 0.0109
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.1369 0.1369
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0088 0.0109
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0244 1 1
Brugia malayi Plexin repeat family protein 0.002 0.0044 0.0054
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0088 0.0155
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0088 0.0155
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0147 0.5708 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0088 0.0109
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0088 0.0109
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0088 0.0155
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0019 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0088 0.0155
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0088 0.0109
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0088 0.0155
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0088 0.0155
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0019 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0088 0.0109
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0088 0.0155
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0088 0.0109
Loa Loa (eye worm) hypothetical protein 0.002 0.0044 0.0054
Echinococcus multilocularis plexin a4 0.0024 0.0211 0.0369
Schistosoma mansoni plexin 0.002 0.0044 0.0078
Loa Loa (eye worm) hypothetical protein 0.0128 0.4844 0.5942
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0088 0.0109

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 16 % Inhibition of ovine COX2 at 100 uM ChEMBL. 17079150
Inhibition (binding) = 16 % Inhibition of ovine COX2 at 100 uM ChEMBL. 17079150
Inhibition (binding) = 18 % Inhibition of ovine COX1 at 100 uM ChEMBL. 17079150
Inhibition (binding) = 18 % Inhibition of ovine COX1 at 100 uM ChEMBL. 17079150

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.