Detailed information for compound 376236

Basic information

Technical information
  • TDR Targets ID: 376236
  • Name: sodium 4-acetamidobenzenesulfinate
  • MW: 221.209 | Formula: C8H8NNaO3S
  • H donors: 1 H acceptors: 3 LogP: -0.25 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)S(=O)[O-].[Na+]
  • InChi: 1S/C8H9NO3S.Na/c1-6(10)9-7-2-4-8(5-3-7)13(11)12;/h2-5H,1H3,(H,9,10)(H,11,12);/q;+1/p-1
  • InChiKey: CPCFZBOTLAEGND-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • sodium N-(4-sulfinatophenyl)acetamide
  • sodium N-(4-sulfinatophenyl)ethanamide
  • AIDS-020164
  • AIDS020164
  • p-Acetamidobenzenesulfinic acid, sodium salt
  • ST5446345

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 PIKK family atypical protein kinase 0.0115 0.0726 0.8688
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0115 0.0726 0.8878
Trichomonas vaginalis PIKK family atypical protein kinase 0.0073 0.0323 0.2959
Toxoplasma gondii non-specific serine/threonine protein kinase 0.006 0.0195 0.0995
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0703 0.8357
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0124 0.0818 0.103
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0195 0.1138
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0124 0.0818 1
Entamoeba histolytica hypothetical protein 0.0098 0.0568 0.6444
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0083 0.0423 0.0288
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0119 0.0769 0.9298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0703 0.8357
Entamoeba histolytica hypothetical protein 0.0054 0.0139 0.0341
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0209 0.1634 0.1516
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0119 0.0769 0.9298
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0087 0.0461 0.4922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.0519 0.5739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.0818 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0124 0.0818 0.4629
Trichomonas vaginalis PIKK family atypical protein kinase 0.0105 0.0634 0.7382
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0124 0.0818 0.0689
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.0818 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0093 0.0519 0.1295
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0124 0.0818 0.2257
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0209 0.1634 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0093 0.0519 0.0385
Loa Loa (eye worm) hypothetical protein 0.006 0.0195 0.0433
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0099 0.0572 0.6502
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0124 0.0818 0.2257
Loa Loa (eye worm) phosphatidylinositol 3 0.0124 0.0818 0.5247
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0093 0.0519 0.634
Trypanosoma cruzi hypothetical protein, conserved 0.0374 0.323 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.009 0.0484 0.5251
Loa Loa (eye worm) phosphatidylinositol 3 0.0188 0.1433 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0087 0.0461 0.4922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0611 0.7051
Entamoeba histolytica protein kinase rad3, putative 0.0054 0.0139 0.0341
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.0519 0.5739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.0818 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0611 0.7045
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0119 0.0769 0.9298
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0062 0.0222 0.1522
Schistosoma mansoni fkbp-rapamycin associated protein 0.0054 0.0139 0.0158
Trichomonas vaginalis PIKK family atypical protein kinase 0.0115 0.0726 0.8688
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0093 0.0519 0.1295
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0054 0.0139 0.1703
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0119 0.0769 0.2099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0115 0.0726 0.8688
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0115 0.0726 0.0714
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0093 0.0519 0.634
Trypanosoma cruzi target of rapamycin kinase 3 0.0115 0.0726 0.1962
Toxoplasma gondii target of rapamycin (TOR), putative 0.0112 0.0703 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0139 0.0341
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0611 0.7045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0611 0.7051
Giardia lamblia GTOR 0.0124 0.0818 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0611 0.7045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.0519 0.5739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0403 0.4088
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.0519 0.5739
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0209 0.1634 0.1516
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0054 0.0139 0.0341
Trichomonas vaginalis PIKK family atypical protein kinase 0.0085 0.0439 0.4602
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0119 0.0769 0.9298
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0083 0.0423 0.4376
Leishmania major hypothetical protein, conserved 0.0394 0.3426 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0124 0.0818 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0611 0.7051
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0611 0.7051
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0093 0.0519 0.0385
Trichomonas vaginalis PIKK family atypical protein kinase 0.0115 0.0726 0.8688
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0139 0.0341
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0093 0.0519 0.5739
Loa Loa (eye worm) phosphatidylinositol 3 0.0093 0.0519 0.2932
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.1075 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.0519 0.5739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0105 0.0634 0.7382
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0054 0.0139 0.0158
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0703 0.8357
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0124 0.0818 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0124 0.0818 0.103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0703 0.8357
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0054 0.0139 0.0077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0115 0.0726 0.8688
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0124 0.0818 0.0689
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0054 0.0139 0.0077
Loa Loa (eye worm) hypothetical protein 0.0083 0.0423 0.2192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0703 0.8357
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0098 0.0568 0.6444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0073 0.0323 0.2959
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0139 0.0341
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0093 0.0519 0.2656
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0703 0.8357
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0139 0.0341
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0124 0.0818 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0119 0.0769 0.9298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0073 0.0323 0.2959
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0119 0.0769 0.2099
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0066 0.0261 0.3047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0703 0.8357
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0139 0.0341
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0069 0.0288 0.3515
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0051 0.0115 0.141
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0124 0.0818 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0347 0.329
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0083 0.0423 0.0288

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 0 % In vitro inhibitory activity against H1N9 strain of Influenza neuraminidase (membrane) at 7 mM concentration ChEMBL. 9406595
Inhibition (binding) = 0 % In vitro inhibitory activity against H1N9 strain of Influenza neuraminidase (membrane) at 7 mM concentration ChEMBL. 9406595

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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