Detailed information for compound 582851

Basic information

Technical information
  • TDR Targets ID: 582851
  • Name: 3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl ]pyridin-1-ium-1-yl]propane-1-sulfonate
  • MW: 400.47 | Formula: C16H20N2O6S2
  • H donors: 0 H acceptors: 6 LogP: -0.14 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-]S(=O)(=O)CCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCS(=O)(=O)[O-]
  • InChi: 1S/C16H20N2O6S2/c19-25(20,21)13-1-7-17-9-3-15(4-10-17)16-5-11-18(12-6-16)8-2-14-26(22,23)24/h3-6,9-12H,1-2,7-8,13-14H2
  • InChiKey: AHTBJQLOYQLXMD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[4-[1-(3-sulfonatopropyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]-1-propanesulfonate
  • N,N'-dipropyl-4,4'-bipyridinium sulfonate
  • 3-[4-[1-(3-sulfonatopropyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]propane-1-sulfonate
  • 77951-49-6
  • ZINC02169525
  • STOCK1S-43938
  • 1,1'-Bis(3-sulfopropyl)-4,4'-bipyridinium dihydroxide, bis (inner salt)
  • 4,4'-Bipyridinium, 1,1'-bis(3-sulfopropyl)-, dihydroxide, bis (inner salt)
  • Pvs-4,4'

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 RNA recognition motif domain containing protein 0.0063 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0 0.5
Leishmania major DNA polymerase kappa, putative 0.0019 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0 0.5
Leishmania major DNA polymerase eta, putative 0.0019 0 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0 0.5
Trypanosoma brucei unspecified product 0.0019 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0 0.5
Brugia malayi TAR-binding protein 0.0063 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0 0.5
Giardia lamblia DINP protein human, muc B family 0.0019 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Echinococcus multilocularis tar DNA binding protein 0.0063 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0063 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0063 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Loa Loa (eye worm) TAR-binding protein 0.0063 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0019 0 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5

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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