Detailed information for compound 1173605

Basic information

Technical information
  • TDR Targets ID: 1173605
  • Name: 4-CHLOROBENZENESULFONIC ACID
  • MW: 192.62 | Formula: C6H5ClO3S
  • H donors: 1 H acceptors: 3 LogP: 1.3 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)O
  • InChi: 1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
  • InChiKey: RJWBTWIBUIGANW-UHFFFAOYSA-N  

Network

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Synonyms

  • 98-66-8
  • NCI60_000700
  • InChI=1/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10
  • 332925_ALDRICH
  • 4-11-00-00107 (Beilstein Handbook Reference)
  • 4-Chlorobenzenesulphonic acid
  • AI3-50012
  • BRN 2209486
  • Benzenesulfonic acid, 4-chloro-
  • Benzenesulfonic acid, p-chloro-
  • EINECS 202-690-0
  • p-Chlorobenzenesulfonic acid
  • p-Chlorophenylsulfonic acid
  • ST5327502

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 granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0246 0.0681
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0246 0.0681
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0123 0.3604 0.5
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0123 0.3604 0.5
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0123 0.3604 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0246 0.0681
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0123 0.3604 1
Toxoplasma gondii methionyl-tRNA synthetase 0.0123 0.3604 1
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0076 0.1379 0.3826
Plasmodium vivax methionine--tRNA ligase, putative 0.0123 0.3604 1
Treponema pallidum methionyl-tRNA synthetase 0.0047 0 0.5
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0047 0 0.5
Brugia malayi methionyl-tRNA synthetase 0.0123 0.3604 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0246 0.0681
Onchocerca volvulus 0.0076 0.1379 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0246 0.0681
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0246 0.0681
Leishmania major methionyl-tRNA synthetase, putative 0.0123 0.3604 1
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0123 0.3604 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0246 0.0681
Schistosoma mansoni methionine-tRNA synthetase 0.0123 0.3604 1
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0123 0.3604 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0246 0.0681
Giardia lamblia Methionyl-tRNA synthetase 0.0123 0.3604 1
Treponema pallidum leucyl-tRNA synthetase 0.0047 0 0.5
Chlamydia trachomatis leucine--tRNA ligase 0.0047 0 0.5
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0123 0.3604 1
Chlamydia trachomatis methionine--tRNA ligase 0.0047 0 0.5
Echinococcus multilocularis methionine tRNA synthetase 0.0123 0.3604 1
Plasmodium falciparum methionine--tRNA ligase 0.0123 0.3604 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0246 0.0681
Echinococcus granulosus methionine tRNA synthetase 0.0123 0.3604 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 20 uM Inhibition of indoleamine-2,3-dioxygenase in human A431 cells assessed as inhibition of IFN-gamma-stimulated kynurenine production ChEMBL. 20688518
IC50 (binding) > 100 uM Inhibition of indoleamine-2,3-dioxygenase ChEMBL. 20688518

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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