Detailed information for compound 2251830

Basic information

Technical information
  • TDR Targets ID: 2251830
  • Name: disodium [3-amino-1-hydroxy-1-(hydroxy-oxidop hosphoryl)propyl]-hydroxyphosphinate pentahyd rate
  • MW: 369.018 | Formula: C3H19NNa2O12P2
  • H donors: 9 H acceptors: 12 LogP: -9.43 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCCC(P(=O)(O)[O-])(P(=O)(O)[O-])O.[Na+].[Na+].O.O.O.O.O
  • InChi: InChI=1S/C3H11NO7P2.2Na.5H2O/c4-2-1-3(5,12(6,7)8)13(9,10)11;;;;;;;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;;5*1H2/q;2*+1;;;;;/p-2
  • InChiKey: CZYWHNTUXNGDGR-UHFFFAOYSA-L  


Substructure search Similarity search

Network

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Synonyms

  • disodium [3-amino-1-hydroxy-1-(hydroxy-oxido-phosphoryl)propyl]-hydroxy-phosphinate pentahydrate
  • 109552-15-0
  • Aredia
  • CGP 23339AE
  • Disodium (3-amino-1-hydroxypropylidene)bisphosphonate pentahydrate
  • Disodium dihydrogen (3-amino-1-hydroxypropylidene)diphosphonate, pentahydrate
  • Disodium pamidronate pentahydrate
  • Disodium-3-amino-1-hydroxypropylidene-1,1-diphosphonate pentahydrate
  • PAMIDRONATE DISODIUM
  • Pamidronate disodium [USAN:JAN]
  • Pamidronate disodium pentahydrate
  • Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-, disodium salt, pentahydrate
  • Aredia (TN)
  • D00941
  • Pamidronate disodium (JAN/USAN)

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
Loa Loa (eye worm) polyprenyl synthetase 0.0094 0.0698 0.1375
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.2909 0.5056
Schistosoma mansoni microtubule-associated protein tau 0.0685 1 1
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0094 0.0698 0.5
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0372 0.5071 0.5
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0094 0.0698 0.1375
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0094 0.0698 0.5
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0094 0.0698 0.5
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0372 0.5071 1
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0372 0.5071 0.4702
Echinococcus multilocularis microtubule associated protein 2 0.0685 1 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0094 0.0698 0.5
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0094 0.0698 0.5
Brugia malayi Polyprenyl synthetase family protein 0.0372 0.5071 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0372 0.5071 1
Treponema pallidum octaprenyl-diphosphate synthase 0.0094 0.0698 0.5
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0372 0.5071 1
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0094 0.0698 0.5
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0372 0.5071 1
Loa Loa (eye worm) polyprenyl synthetase 0.0372 0.5071 1
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0372 0.5071 0.4702
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0372 0.5071 1
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0372 0.5071 0.4702
Giardia lamblia Farnesyl diphosphate synthase 0.0372 0.5071 0.5
Leishmania major farnesyl pyrophosphate synthase 0.0372 0.5071 1
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0372 0.5071 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0372 0.5071 0.5
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0372 0.5071 1
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0094 0.0698 0.1375
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0372 0.5071 1
Brugia malayi Polyprenyl synthetase family protein 0.0094 0.0698 0.1375
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0372 0.5071 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0094 0.0698 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0372 0.5071 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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