Detailed information for compound 992954

Basic information

Technical information
  • TDR Targets ID: 992954
  • Name: 4-[(4-chlorophenyl)sulfonylamino]benzoic acid
  • MW: 311.741 | Formula: C13H10ClNO4S
  • H donors: 2 H acceptors: 4 LogP: 2.6 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)O
  • InChi: 1S/C13H10ClNO4S/c14-10-3-7-12(8-4-10)20(18,19)15-11-5-1-9(2-6-11)13(16)17/h1-8,15H,(H,16,17)
  • InChiKey: IBRLPMYEEPGIAK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • STOCK1S-20491
  • 2-(((4-Chlorophenyl)sulfonyl)amino)benzoic acid
  • 4-14-00-01069 (Beilstein Handbook Reference)
  • BENZOIC ACID, 2-(((4-CHLOROPHENYL)SULFONYL)AMINO)-
  • BRN 2390388
  • 4-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid
  • MLS000060881
  • SMR000069109
  • 4-(4-Chloro-benzenesulfonylamino)-benzoic acid
  • BAS 00116535
  • AG-690/09763021

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major beta tubulin 0.0027 0 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0027 0 0.5
Echinococcus multilocularis tubulin subunit beta 0.0027 0 0.5
Schistosoma mansoni o-methyltransferase 0.0059 0.058 1
Leishmania major beta tubulin 0.0027 0 0.5
Leishmania major beta tubulin 0.0027 0 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0027 0 0.5
Echinococcus multilocularis beta tubulin 0.0027 0 0.5
Loa Loa (eye worm) O-methyltransferase 0.0059 0.058 1
Echinococcus multilocularis beta tubulin 0.0027 0 0.5
Leishmania major beta tubulin 0.0027 0 0.5
Leishmania major beta tubulin 0.0027 0 0.5
Leishmania major beta tubulin 0.0027 0 0.5
Echinococcus granulosus beta tubulin 0.0027 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0059 0.058 1
Wolbachia endosymbiont of Brugia malayi O-methyltransferase 0.0059 0.058 0.5
Trypanosoma brucei beta tubulin 0.0027 0 0.5
Schistosoma mansoni o-methyltransferase 0.0059 0.058 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0027 0 0.5
Giardia lamblia Beta tubulin 0.0027 0 0.5
Brugia malayi O-methyltransferase family protein 0.0059 0.058 1
Schistosoma mansoni o-methyltransferase 0.0059 0.058 1
Leishmania major beta tubulin 0.0027 0 0.5
Leishmania major beta tubulin 0.0027 0 0.5
Schistosoma mansoni o-methyltransferase 0.0059 0.058 1
Echinococcus granulosus Tubulin beta 2C chain 0.0027 0 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.0027 0 0.5
Leishmania major beta tubulin 0.0027 0 0.5
Leishmania major beta tubulin 0.0027 0 0.5
Trypanosoma brucei beta tubulin 0.0027 0 0.5
Leishmania major beta tubulin 0.0027 0 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0027 0 0.5
Leishmania major beta tubulin 0.0027 0 0.5
Trichomonas vaginalis tubulin alpha chain, putative 0.0027 0 0.5
Entamoeba histolytica tubulin family protein 0.0027 0 0.5
Leishmania major beta tubulin 0.0027 0 0.5
Entamoeba histolytica tubulin family protein 0.0027 0 0.5
Onchocerca volvulus 0.0059 0.058 0.5
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0027 0 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0027 0 0.5
Leishmania major beta tubulin 0.0027 0 0.5
Echinococcus granulosus tubulin beta 1 chain 0.0027 0 0.5
Brugia malayi O-methyltransferase family protein 0.0059 0.058 1
Trypanosoma cruzi beta tubulin, putative 0.0027 0 0.5
Leishmania major beta tubulin 0.0027 0 0.5
Toxoplasma gondii beta-tubulin, putative 0.0027 0 0.5
Trichomonas vaginalis tubulin, putative 0.0027 0 0.5
Echinococcus multilocularis tubulin beta 1 chain 0.0027 0 0.5
Echinococcus granulosus beta tubulin 0.0027 0 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0027 0 0.5
Leishmania major beta tubulin 0.0027 0 0.5
Toxoplasma gondii beta-1 tubulin, putative 0.0027 0 0.5
Trichomonas vaginalis tubulin gamma chain, putative 0.0027 0 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.0027 0 0.5
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.0506 0.8909 1
Leishmania major beta tubulin 0.0027 0 0.5
Mycobacterium leprae PROBABLE METHYLTRANSFERASE 0.0059 0.058 0.5
Giardia lamblia Beta tubulin 0.0027 0 0.5
Trypanosoma brucei beta tubulin 0.0027 0 0.5
Echinococcus granulosus tubulin beta 4A class IVa 0.0027 0 0.5
Plasmodium vivax tubulin beta chain, putative 0.0027 0 0.5
Brugia malayi O-methyltransferase family protein 0.0059 0.058 1
Toxoplasma gondii beta tubulin 0.0027 0 0.5
Giardia lamblia Beta tubulin 0.0027 0 0.5
Onchocerca volvulus 0.0059 0.058 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0027 0 0.5
Leishmania major beta tubulin 0.0027 0 0.5
Echinococcus granulosus tubulin subunit beta 0.0027 0 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0027 0 0.5
Brugia malayi O-methyltransferase 0.0059 0.058 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0027 0 0.5
Trypanosoma brucei beta tubulin 0.0027 0 0.5
Plasmodium falciparum tubulin beta chain 0.0027 0 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0027 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.7783 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) = 63.0957 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

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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