Detailed information for compound 992689

Basic information

Technical information
  • TDR Targets ID: 992689
  • Name: trisodium 2-(oxan-2-yloxy)ethylsulfanyl-phosp honatooxyphosphinate
  • MW: 388.155 | Formula: C7H13Na3O8P2S
  • H donors: 3 H acceptors: 5 LogP: -1.54 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-]P(=O)(OP(=O)(SCCOC1CCCCO1)[O-])[O-].[Na+].[Na+].[Na+]
  • InChi: 1S/C7H16O8P2S.3Na/c8-16(9,10)15-17(11,12)18-6-5-14-7-3-1-2-4-13-7;;;/h7H,1-6H2,(H,11,12)(H2,8,9,10);;;/q;3*+1/p-3
  • InChiKey: VKAKLQLJKGYQEW-UHFFFAOYSA-K  


Substructure search Similarity search

Network

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Synonyms

  • trisodium phosphonatooxy-(2-tetrahydropyran-2-yloxyethylsulfanyl)phosphinate
  • trisodium phosphonatooxy-[2-(2-tetrahydropyranyloxy)ethylthio]phosphinate
  • trisodium phosphato-(2-tetrahydropyran-2-yloxyethylthio)phosphinate
  • trisodium 2-(oxan-2-yloxy)ethylsulfanyl-phosphonatooxy-phosphinate

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
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0666 1
Brugia malayi RNA binding protein 0.0064 0.3205 1
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0384 1
Loa Loa (eye worm) TAR-binding protein 0.0064 0.3205 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0384 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0384 1
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0282 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0384 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0384 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0666 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0384 0.5
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0282 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0384 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0666 0.1313
Loa Loa (eye worm) RNA binding protein 0.0064 0.3205 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0384 0.2642
Giardia lamblia DINP protein human, muc B family 0.0019 0.0384 0.5
Onchocerca volvulus 0.0024 0.0666 0.5
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0666 0.1001
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0666 1
Echinococcus multilocularis geminin 0.0171 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0384 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0666 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0666 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0384 0.3665
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0384 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0666 0.1001
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0666 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3205 0.2934
Schistosoma mansoni hypothetical protein 0.0171 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0384 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0384 0.2642
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0384 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0384 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0282 0.139
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.3205 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0666 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0384 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.0666 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0666 0.1313
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3205 0.2934
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0666 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3205 0.2934
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0666 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0666 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0384 0.0347
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0384 0.0347
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3205 0.2934
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0384 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0384 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0384 0.3665
Loa Loa (eye worm) hypothetical protein 0.0024 0.0666 0.1313
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0384 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0666 1
Echinococcus granulosus tar DNA binding protein 0.0064 0.3205 0.2934
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0666 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0384 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0666 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.3205 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0666 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0666 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0384 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0384 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0666 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0384 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0384 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0282 0.5
Schistosoma mansoni hypothetical protein 0.0171 1 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3205 0.2934
Trypanosoma brucei unspecified product 0.0019 0.0384 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0666 0.1001
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0666 1
Echinococcus multilocularis tar DNA binding protein 0.0064 0.3205 0.2934
Brugia malayi TAR-binding protein 0.0064 0.3205 1

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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