Detailed information for compound 410423

Basic information

Technical information
  • TDR Targets ID: 410423
  • Name: [[(3,5-dibromopyridin-2-yl)amino]-phosphonome thyl]phosphonic acid
  • MW: 425.893 | Formula: C6H8Br2N2O6P2
  • H donors: 5 H acceptors: 7 LogP: -0.84 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cnc(c(c1)Br)NC(P(=O)(O)O)P(=O)(O)O
  • InChi: 1S/C6H8Br2N2O6P2/c7-3-1-4(8)5(9-2-3)10-6(17(11,12)13)18(14,15)16/h1-2,6H,(H,9,10)(H2,11,12,13)(H2,14,15,16)
  • InChiKey: YARWVPFWWYHTQO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[(3,5-dibromo-2-pyridyl)amino]-phosphono-methyl]phosphonic acid
  • [[(3,5-dibromo-2-pyridyl)amino]-phosphonomethyl]phosphonic acid
  • [[(3,5-dibromopyridin-2-yl)amino]-phosphono-methyl]phosphonic acid
  • NSC725584
  • (3,5-dibromo-2-pyridinyl)-aminomethylene-1,1-bisphosphonate

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
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0219 0 0.5
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0859 0.285 0.2973
Schistosoma mansoni inositol transporter 0.0859 0.285 0.285
Echinococcus granulosus solute carrier family 5 0.0859 0.285 0.285
Loa Loa (eye worm) hypothetical protein 0.0219 0 0.5
Onchocerca volvulus 0.0219 0 0.5
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0859 0.285 0.2973
Brugia malayi GH02984p 0.0219 0 0.5
Schistosoma mansoni inositol transporter 0.0859 0.285 0.285
Brugia malayi Sodium:solute symporter family protein 0.0219 0 0.5
Echinococcus granulosus sodium:glucose cotransporter 2 0.0859 0.285 0.285
Loa Loa (eye worm) hypothetical protein 0.0219 0 0.5
Echinococcus granulosus sodium:glucose cotransporter 0.0859 0.285 0.285
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.237 0.9586 1
Echinococcus multilocularis solute carrier family 5 0.0859 0.285 0.2973
Schistosoma mansoni retinoic acid receptor RXR 0.2463 1 1
Echinococcus granulosus sodium:myo inositol cotransporter 0.0859 0.285 0.285

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 92 % Inhibition of Arabidopsis thaliana P5C reductase catalytic activity assessed as inhibition of NADPH oxidation at 340 nm OD at 0.2 mM by NADPH oxidation assay ChEMBL. 17474756
Activity (binding) = 99.8 % Inhibition of Arabidopsis thaliana P5C reductase catalytic activity assessed as residual concentration of enzyme at 535 nm OD at 0.5 mM by P5C utilization assay ChEMBL. 17474756
IC50 (functional) = 29 uM Antimicrobial activity against Entamoeba histolytica ChEMBL. 20185316
IC50 (functional) = 200 uM Antimicrobial activity against Plasmodium falciparum ChEMBL. 20185316
IZ (functional) = 0 mm Antibacterial activity against Escherichia coli W3110 ChEMBL. 17149863
IZ (functional) = 0 mm Antibacterial activity against Escherichia coli W3110 ChEMBL. 17149863

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

2 literature references were collected for this gene.

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