Detailed information for compound 2091476

Basic information

Technical information
  • TDR Targets ID: 2091476
  • Name: disodium hydroxy-[1-hydroxy-1-(hydroxy-oxidop hosphoryl)-2-pyridin-3-ylethyl]phosphinate
  • MW: 327.076 | Formula: C7H9NNa2O7P2
  • H donors: 5 H acceptors: 8 LogP: -3.15 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-]P(=O)(C(P(=O)(O)[O-])(Cc1cccnc1)O)O.[Na+].[Na+]
  • InChi: 1S/C7H11NO7P2.2Na/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;;/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-2
  • InChiKey: ARGHCEVMLACPSI-UHFFFAOYSA-L  

Network

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Synonyms

  • disodium hydroxy-[1-hydroxy-1-(hydroxy-oxido-phosphoryl)-2-(3-pyridyl)ethyl]phosphinate
  • disodium hydroxy-[1-hydroxy-1-(hydroxy-oxidophosphoryl)-2-(3-pyridyl)ethyl]phosphinate
  • disodium hydroxy-[1-hydroxy-1-(hydroxy-oxido-phosphoryl)-2-pyridin-3-yl-ethyl]phosphinate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 Starlite/ChEMBL No references

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
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0372 1 1
Loa Loa (eye worm) polyprenyl synthetase 0.0094 0.2157 0.2154
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0094 0.2157 0.2157
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0089 0.2021 0.2021
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0094 0.2157 0.2157
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0094 0.2157 0.2154
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0372 1 0.5
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0094 0.2157 0.5
Schistosoma mansoni glutathione synthetase 0.0094 0.2157 0.2157
Echinococcus multilocularis Ankyrin 0.0018 0.0004 0.0004
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0094 0.2157 0.5
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0094 0.2157 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0372 1 1
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0372 1 1
Schistosoma mansoni trans-prenyltransferase 0.0094 0.2157 0.2157
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0372 1 1
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0094 0.2157 0.5
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0372 1 1
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0094 0.2157 0.5
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0094 0.2157 0.2157
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0094 0.2157 0.2157
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0094 0.2157 0.2157
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0372 1 1
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0094 0.2157 0.2157
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0018 0.0004 0.0004
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0372 1 0.5
Giardia lamblia Farnesyl diphosphate synthase 0.0372 1 0.5
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0372 1 1
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0372 1 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0372 1 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0372 1 1
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0094 0.2157 0.2157
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0372 1 1
Loa Loa (eye worm) polyprenyl synthetase 0.0372 1 1
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0372 1 1
Leishmania major farnesyl pyrophosphate synthase 0.0372 1 1
Brugia malayi Polyprenyl synthetase family protein 0.0094 0.2157 0.2157
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0094 0.2157 0.5
Echinococcus granulosus nuclear factor of activated T cells 5 0.0089 0.2021 0.2021
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0094 0.2157 0.2157
Echinococcus granulosus Ankyrin 0.0018 0.0004 0.0004
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0094 0.2157 0.5
Treponema pallidum octaprenyl-diphosphate synthase 0.0094 0.2157 0.5
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0372 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.6822 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference

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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