Detailed information for compound 775398

Basic information

Technical information
  • TDR Targets ID: 775398
  • Name: 5-[(2,5-dimethylphenyl)sulfonylamino]-2-hydro xybenzoic acid
  • MW: 321.348 | Formula: C15H15NO5S
  • H donors: 3 H acceptors: 5 LogP: 2.9 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)S(=O)(=O)Nc1ccc(c(c1)C(=O)O)O)C
  • InChi: 1S/C15H15NO5S/c1-9-3-4-10(2)14(7-9)22(20,21)16-11-5-6-13(17)12(8-11)15(18)19/h3-8,16-17H,1-2H3,(H,18,19)
  • InChiKey: OXHBGWNGARQYRT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(2,5-dimethylphenyl)sulfonylamino]-2-hydroxy-benzoic acid
  • MLS000759996
  • SMR000370043

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
Brugia malayi intermediate filament protein 0.0026 0.0689 0.1611
Brugia malayi hypothetical protein 0.0024 0.0602 0.1385
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0531 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0602 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0235 0.06
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.3908 0.3908
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0602 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.3908 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0531 0.5
Onchocerca volvulus 0.0026 0.0689 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0209 1 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0209 1 1
Echinococcus granulosus intermediate filament protein 0.0026 0.0689 0.0689
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0531 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.3908 0.3457
Giardia lamblia Rrm3p helicase 0.0209 1 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0209 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0235 0.06
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.3908 0.3457
Loa Loa (eye worm) hypothetical protein 0.0024 0.0602 0.1541
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0531 0.1201
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0689 0.1763
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0602 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0531 0.136
Leishmania major hypothetical protein, conserved 0.0024 0.0602 0.0075
Loa Loa (eye worm) hypothetical protein 0.0023 0.0531 0.136
Brugia malayi hypothetical protein 0.0016 0.0161 0.0235
Entamoeba histolytica DNA repair and recombination protein, putative 0.0209 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0235 0.06
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0531 1
Schistosoma mansoni hypothetical protein 0.0209 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0665 0.1701
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0209 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0235 0.06
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0209 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.3908 0.3457
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0531 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0235 0.06
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0235 0.139
Echinococcus granulosus lamin 0.0026 0.0689 0.0689
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.3908 1
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0602 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0531 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0209 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0531 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0531 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0235 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0531 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0689 0.1611
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.3908 0.3908
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0071 0.0181
Trichomonas vaginalis conserved hypothetical protein 0.0209 1 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0531 1
Onchocerca volvulus 0.0026 0.0689 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0689 0.1763
Echinococcus multilocularis lamin 0.0026 0.0689 0.0689
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.3908 0.3908
Echinococcus multilocularis musashi 0.0026 0.0689 0.0689
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0531 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0689 0.1763
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0209 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0209 1 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0531 0.1201
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0531 0.1201
Loa Loa (eye worm) hypothetical protein 0.0023 0.0531 0.136
Echinococcus granulosus lamin dm0 0.0026 0.0689 0.0689
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.3908 0.3908
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0531 1
Echinococcus multilocularis lamin dm0 0.0026 0.0689 0.0689
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0209 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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