Detailed information for compound 162623

Basic information

Technical information
  • TDR Targets ID: 162623
  • Name: (1-hydroxy-1-phosphono-3-pyridin-4-ylpropyl)p hosphonic acid
  • MW: 297.139 | Formula: C8H13NO7P2
  • H donors: 5 H acceptors: 8 LogP: -2.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(P(=O)(O)O)(P(=O)(O)O)CCc1ccncc1
  • InChi: 1S/C8H13NO7P2/c10-8(17(11,12)13,18(14,15)16)4-1-7-2-5-9-6-3-7/h2-3,5-6,10H,1,4H2,(H2,11,12,13)(H2,14,15,16)
  • InChiKey: MIOSUYQMFQSETN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [1-hydroxy-1-phosphono-3-(4-pyridyl)propyl]phosphonic acid
  • (1-hydroxy-1-phosphono-3-pyridin-4-yl-propyl)phosphonic acid

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) hypothetical protein 0.0048 0.2701 0.2701
Entamoeba histolytica hypothetical protein 0.0035 0.1684 0.5
Echinococcus multilocularis tar DNA binding protein 0.0061 0.3691 0.3691
Brugia malayi hypothetical protein 0.0035 0.1684 0.1596
Echinococcus multilocularis musashi 0.0026 0.1023 0.1023
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0202 0.0202
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3691 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0987 0.0987
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2701 0.2624
Loa Loa (eye worm) hypothetical protein 0.0026 0.1023 0.1023
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1684 0.1684
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0202 0.0202
Echinococcus granulosus muscleblind protein 0.0144 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.1023 0.0928
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1684 0.1684
Entamoeba histolytica hypothetical protein 0.0035 0.1684 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.1684 0.4247
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1545 0.1455
Schistosoma mansoni lamin 0.0026 0.1023 0.2353
Loa Loa (eye worm) TAR-binding protein 0.0061 0.3691 0.3691
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0202 0.0098
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0202 0.0202
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.1023 0.1023
Brugia malayi TAR-binding protein 0.0061 0.3691 0.3624
Entamoeba histolytica hypothetical protein 0.0035 0.1684 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3691 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1684 0.4247
Echinococcus multilocularis GPCR, family 2 0.0015 0.0202 0.0202
Loa Loa (eye worm) hypothetical protein 0.0144 1 1
Onchocerca volvulus 0.0026 0.1023 0.5
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0202 0.0098
Schistosoma mansoni intermediate filament proteins 0.0026 0.1023 0.2353
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2701 0.2624
Brugia malayi RNA binding protein 0.0061 0.3691 0.3624
Schistosoma mansoni lamin 0.0026 0.1023 0.2353
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2701 0.2701
Echinococcus granulosus lamin 0.0026 0.1023 0.1023
Echinococcus granulosus lamin dm0 0.0026 0.1023 0.1023
Echinococcus multilocularis lamin 0.0026 0.1023 0.1023
Echinococcus granulosus GPCR family 2 0.0015 0.0202 0.0202
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3691 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0202 0.0202
Echinococcus granulosus intermediate filament protein 0.0026 0.1023 0.1023
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0105 0.0105
Onchocerca volvulus 0.0026 0.1023 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.3691 0.3691
Echinococcus multilocularis lamin dm0 0.0026 0.1023 0.1023
Loa Loa (eye worm) intermediate filament protein 0.0026 0.1023 0.1023
Loa Loa (eye worm) hypothetical protein 0.0033 0.1545 0.1545
Loa Loa (eye worm) RNA binding protein 0.0061 0.3691 0.3691
Echinococcus granulosus tar DNA binding protein 0.0061 0.3691 0.3691
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0202 0.0202
Entamoeba histolytica hypothetical protein 0.0035 0.1684 0.5
Loa Loa (eye worm) hypothetical protein 0.0144 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.1545 0.3848
Brugia malayi intermediate filament protein 0.0026 0.1023 0.0928
Echinococcus multilocularis muscleblind protein 0.0144 1 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3691 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3691 1
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.3691 0.3624
Echinococcus multilocularis muscleblind protein 1 0.0144 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0202 0.0202

Activities

Activity type Activity value Assay description Source Reference
LED (functional) = 1 mgP kg-1 Bone resorption activity in rats. ChEMBL. 12086477

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

1 literature reference was collected for this gene.

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