Detailed information for compound 590283

Basic information

Technical information
  • TDR Targets ID: 590283
  • Name: 3-nitrobenzenesulfonic acid
  • MW: 203.173 | Formula: C6H5NO5S
  • H donors: 1 H acceptors: 5 LogP: 0.5 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1cccc(c1)S(=O)(=O)O
  • InChi: 1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)
  • InChiKey: ONMOULMPIIOVTQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-nitrobesylic acid
  • 98-47-5
  • 3-Nitrobenzenesulphonic acid
  • 3-Nitrophenylsulfonic acid
  • 4-11-00-00179 (Beilstein Handbook Reference)
  • BRN 0647983
  • Benzenesulfonic acid, 3-nitro-
  • Benzenesulfonic acid, m-nitro-
  • CCRIS 3131
  • EINECS 202-671-7
  • Kyselina 3-nitrobenzensulfonova [Czech]
  • Kyselina nitrobenzen-m-sulfonova [Czech]
  • m-Nitrobenzenesulfonic acid
  • m-Nitrobenzensulfonic acid

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
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Echinococcus multilocularis protein C ets 2 0.0011 0.0175 0.0242
Trypanosoma cruzi hypothetical protein 0.0006 0 0.5
Onchocerca volvulus 0.003 0.1015 0.1015
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Brugia malayi Smad1 0.0009 0.009 0.0097
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.5168 0.558
Brugia malayi Ets-domain containing protein 0.0072 0.2862 0.309
Brugia malayi DNA-binding protein D-ETS-3 0.0011 0.0175 0.0189
Echinococcus multilocularis Smad4 0.0009 0.009 0.0125
Loa Loa (eye worm) ets-domain-containing protein 0.0011 0.0175 0.0189
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0185 0.7728 0.7728
Schistosoma mansoni gabp alpha 0.0072 0.2862 0.309
Schistosoma mansoni ets-related 0.022 0.9261 1
Brugia malayi transcription factor E74 isoform 0.0011 0.0175 0.0189
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.009 0.0125
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0967 0.1336
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0113 0.0122
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0113 0.0156
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0113 0.0156
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.2862 0.309
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Schistosoma mansoni hypothetical protein 0.0173 0.7237 0.7814
Schistosoma mansoni hypothetical protein 0.0011 0.0175 0.0189
Loa Loa (eye worm) hypothetical protein 0.0011 0.0175 0.0189
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.1015 0.1096
Brugia malayi N-terminal motif family protein 0.0185 0.7728 0.8344
Schistosoma mansoni elf1 0.0011 0.0175 0.0189
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2529 0.2731
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2529 0.2731
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0011 0.0175 0.0189
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.1015 0.1402
Brugia malayi MH1 domain containing protein 0.0009 0.009 0.0097
Brugia malayi RNA binding protein 0.0065 0.2529 0.2731
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0113 0.0156
Loa Loa (eye worm) hypothetical protein 0.0185 0.7728 0.8344
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0113 0.0122
Echinococcus granulosus ETS domain containing protein Elk 1 0.0011 0.0175 0.0242
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.1015 1
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0011 0.0175 0.0189
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0011 0.0175 0.0242
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0113 0.0156
Loa Loa (eye worm) Smad1 0.0009 0.009 0.0097
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0175 0.0242
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.1015 0.1096
Echinococcus multilocularis smad 0.0009 0.009 0.0125
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0113 0.0156
Brugia malayi Fli-1 protein 0.022 0.9261 1
Plasmodium vivax SET domain protein, putative 0.003 0.1015 0.5
Schistosoma mansoni hypothetical protein 0.0173 0.7237 0.7814
Echinococcus granulosus ETS transcription factor Elf 5 0.0011 0.0175 0.0242
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0113 0.0156
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.1015 0.1402
Brugia malayi TAR-binding protein 0.0065 0.2529 0.2731
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.009 0.0125
Schistosoma mansoni smad1 5 8 and 0.0009 0.009 0.0097
Onchocerca volvulus 0.0009 0.0113 0.0113
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0011 0.0175 0.0189
Echinococcus granulosus ewsr:fli fusion protein type 0.0011 0.0175 0.0242
Schistosoma mansoni dishevelled 0.0009 0.0113 0.0122
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0113 0.0156
Schistosoma mansoni smad1 5 8 and 0.0009 0.009 0.0097
Echinococcus granulosus protein C ets 2 0.0011 0.0175 0.0242
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0006 0 0.5
Brugia malayi MH1 domain containing protein 0.0009 0.009 0.0097
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.009 0.0097
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0175 0.0242
Brugia malayi hypothetical protein 0.0009 0.0113 0.0122
Loa Loa (eye worm) hypothetical protein 0.0009 0.0113 0.0122
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0113 0.0156
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.2529 0.2731
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2529 0.2731
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2529 0.2731
Echinococcus multilocularis geminin 0.0173 0.7237 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.2529 0.2731
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0175 0.0242
Schistosoma mansoni smad 0.0009 0.009 0.0097
Brugia malayi MH2 domain containing protein 0.0126 0.5168 0.558
Brugia malayi Ets-domain containing protein 0.0011 0.0175 0.0189
Echinococcus multilocularis ETS transcription factor Elf 1 0.0011 0.0175 0.0242
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0175 0.0242
Brugia malayi Pre-SET motif family protein 0.0208 0.8752 0.945
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0113 0.0122
Loa Loa (eye worm) hypothetical protein 0.003 0.1015 0.1096
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.5168 0.558
Loa Loa (eye worm) D-ets-2 protein 0.0011 0.0175 0.0189
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0113 0.0156
Schistosoma mansoni smad1 5 8 and 0.0009 0.009 0.0097
Echinococcus granulosus Smad4 0.0009 0.009 0.0125
Loa Loa (eye worm) fli-1 protein 0.022 0.9261 1
Echinococcus multilocularis ets variant gene 4 0.0011 0.0175 0.0242
Schistosoma mansoni ets 0.0011 0.0175 0.0189
Schistosoma mansoni dishevelled 0.0009 0.0113 0.0122
Echinococcus multilocularis tar DNA binding protein 0.0065 0.2529 0.3495
Echinococcus granulosus geminin 0.0173 0.7237 1
Echinococcus granulosus smad 0.0009 0.009 0.0125
Brugia malayi Pre-SET motif family protein 0.003 0.1015 0.1096
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.8752 0.945
Loa Loa (eye worm) hypothetical protein 0.0062 0.2406 0.2598
Brugia malayi Ets-domain containing protein 0.0072 0.2862 0.309
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0009 0.0113 0.0122
Echinococcus granulosus ETS transcription factor Elf 1 0.0011 0.0175 0.0242
Loa Loa (eye worm) hypothetical protein 0.0009 0.0113 0.0122
Schistosoma mansoni ets-related 0.0011 0.0175 0.0189
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0113 0.0122
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.009 0.0125
Entamoeba histolytica hypothetical protein 0.0006 0 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.009 0.0125
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0113 0.0156
Loa Loa (eye worm) RNA binding protein 0.0065 0.2529 0.2731
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0113 0.0122
Trypanosoma cruzi hypothetical protein 0.0006 0 0.5
Brugia malayi MH2 domain containing protein 0.0009 0.009 0.0097
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Echinococcus multilocularis ewsr:fli fusion protein type 0.0011 0.0175 0.0242
Echinococcus multilocularis ETS transcription factor Elf 5 0.0011 0.0175 0.0242
Loa Loa (eye worm) hypothetical protein 0.0011 0.0175 0.0189
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.009 0.0097
Schistosoma mansoni hypothetical protein 0.0011 0.0175 0.0189
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2529 0.2731
Schistosoma mansoni Smad4 0.0009 0.009 0.0097
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0113 0.0122
Echinococcus granulosus tar DNA binding protein 0.0065 0.2529 0.3495
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0113 0.0122
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.009 0.0097
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.1015 0.1096
Brugia malayi hypothetical protein 0.0009 0.0113 0.0122
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Trichomonas vaginalis set domain proteins, putative 0.0237 1 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0113 0.0122
Brugia malayi DIX domain containing protein 0.0009 0.0113 0.0122
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.1015 0.1096
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.2862 0.3955
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.1015 0.1402
Loa Loa (eye worm) TAR-binding protein 0.0065 0.2529 0.2731
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Schistosoma mansoni dep domain containing protein 0.0009 0.0113 0.0122
Brugia malayi MH2 domain containing protein 0.0009 0.009 0.0097
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.2862 0.3955

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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