Detailed information for compound 558965

Basic information

Technical information
  • TDR Targets ID: 558965
  • Name: 1,1-dioxospiro[benzo[c]oxathiole-3,9'-xanthen e]-3',4',5',6'-tetrol
  • MW: 400.359 | Formula: C19H12O8S
  • H donors: 4 H acceptors: 6 LogP: 2.14 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1c(O)ccc2c1Oc1c(O)c(O)ccc1C12OS(=O)(=O)c2c1cccc2
  • InChi: 1S/C19H12O8S/c20-12-7-5-10-17(15(12)22)26-18-11(6-8-13(21)16(18)23)19(10)9-3-1-2-4-14(9)28(24,25)27-19/h1-8,20-23H
  • InChiKey: KUQNCHZOCSYKOR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1,1-dioxospiro[benzo[c][1,2]oxathiole-3,9'-xanthene]-3',4',5',6'-tetrol
  • 1,1-diketospiro[benzo[c]oxathiole-3,9'-xanthene]-3',4',5',6'-tetrol
  • pyrogallol sulfonphthalein
  • 116239-00-0
  • 3172-49-4
  • P8759_SIGMA
  • Pyrogallol Red
  • Pyrogallolsulfonephthalein
  • AI3-63037
  • EINECS 251-134-3
  • Spiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',4',5',6'-tetrol, 1,1-dioxide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein tyrosine phosphatase, non-receptor type 11 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tyrosine protein phosphatase non receptor type Get druggable targets OG5_130331 All targets in OG5_130331
Brugia malayi Protein-tyrosine phosphatase containing protein Get druggable targets OG5_130331 All targets in OG5_130331
Schistosoma japonicum ko:K07293 protein tyrosine phosphatase, non-receptor type 11, putative Get druggable targets OG5_130331 All targets in OG5_130331
Schistosoma japonicum IPR000242,Tyrosine specific protein phosphatase,domain-containing Get druggable targets OG5_130331 All targets in OG5_130331
Loa Loa (eye worm) protein-tyrosine phosphatase Get druggable targets OG5_130331 All targets in OG5_130331
Echinococcus granulosus tyrosine protein phosphatase non receptor type Get druggable targets OG5_130331 All targets in OG5_130331
Echinococcus multilocularis tyrosine protein phosphatase non receptor type Get druggable targets OG5_130331 All targets in OG5_130331
Echinococcus multilocularis tyrosine protein phosphatase non receptor type Get druggable targets OG5_130331 All targets in OG5_130331
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) Get druggable targets OG5_130331 All targets in OG5_130331
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
Schistosoma mansoni tar DNA-binding protein 0.0199 0.5384 1
Brugia malayi TAR-binding protein 0.0199 0.5384 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0143 0.296 0.5498
Brugia malayi RNA binding protein 0.0199 0.5384 1
Entamoeba histolytica hypothetical protein 0.0074 0 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0143 0.296 0.5498
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0306 1 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0143 0.296 0.5498
Loa Loa (eye worm) TAR-binding protein 0.0199 0.5384 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0.3755 0.5
Loa Loa (eye worm) hypothetical protein 0.0158 0.3624 0.2737
Schistosoma mansoni tar DNA-binding protein 0.0199 0.5384 1
Schistosoma mansoni tar DNA-binding protein 0.0199 0.5384 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0199 0.5384 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0306 1 1
Entamoeba histolytica hypothetical protein 0.0074 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0199 0.5384 1
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0143 0.296 0.5498
Loa Loa (eye worm) RNA binding protein 0.0199 0.5384 1
Entamoeba histolytica hypothetical protein 0.0074 0 0.5
Onchocerca volvulus 0.0158 0.3624 0.5
Brugia malayi hypothetical protein 0.0158 0.3624 0.673
Mycobacterium ulcerans hypothetical protein 0.0161 0.3755 0.5
Entamoeba histolytica hypothetical protein 0.0074 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0199 0.5384 1
Echinococcus granulosus tar DNA binding protein 0.0199 0.5384 1
Schistosoma mansoni tar DNA-binding protein 0.0199 0.5384 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0143 0.296 0.5498
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0306 1 1
Schistosoma mansoni tar DNA-binding protein 0.0199 0.5384 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0143 0.296 0.5498

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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