Detailed information for compound 62285

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 310.242 | Formula: C13H15N2O5P
  • H donors: 4 H acceptors: 6 LogP: -3.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@@H](Cc1nc2ccccc2cc1CP(=O)(O)O)N
  • InChi: 1S/C13H15N2O5P/c14-10(13(16)17)6-12-9(7-21(18,19)20)5-8-3-1-2-4-11(8)15-12/h1-5,10H,6-7,14H2,(H,16,17)(H2,18,19,20)/t10-/m1/s1
  • InChiKey: GMKUUDMQAQODGA-SNVBAGLBSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0296 0.3502 0.5
Brugia malayi hypothetical protein 0.0096 0 0.5
Plasmodium falciparum plasmepsin X 0.0334 0.4177 1
Plasmodium falciparum plasmepsin IV 0.0296 0.3502 0.8384
Plasmodium falciparum plasmepsin II 0.0296 0.3502 0.8384
Brugia malayi Pepsin A precursor 0.0096 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0296 0.3502 1
Plasmodium vivax aspartyl proteinase, putative 0.0296 0.3502 0.8384
Brugia malayi aspartic protease BmAsp-1, identical 0.0096 0 0.5
Plasmodium vivax plasmepsin IV, putative 0.0296 0.3502 0.8384
Schistosoma mansoni cathepsin D (A01 family) 0.0667 1 1
Brugia malayi aspartic protease BmAsp-2, identical 0.0096 0 0.5
Onchocerca volvulus 0.0096 0 0.5
Brugia malayi Eukaryotic aspartyl protease family protein 0.0096 0 0.5
Brugia malayi hypothetical protein 0.0096 0 0.5
Plasmodium vivax aspartyl protease, putative 0.0334 0.4177 1
Plasmodium vivax aspartyl protease, putative 0.0334 0.4177 1
Plasmodium falciparum plasmepsin IX 0.0334 0.4177 1
Toxoplasma gondii aspartyl protease ASP3 0.0334 0.4177 1
Plasmodium falciparum plasmepsin VI 0.0296 0.3502 0.8384
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0296 0.3502 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0296 0.3502 0.3502
Toxoplasma gondii aspartyl protease ASP1 0.0296 0.3502 0.8384
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0296 0.3502 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0296 0.3502 0.5
Onchocerca volvulus 0.0096 0 0.5
Plasmodium falciparum plasmepsin I 0.0296 0.3502 0.8384
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0296 0.3502 0.8384

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 123 nM Binding affinity to the glutamate site of the NMDA receptor was measured by competitive inhibition of binding of [3H]-CGP- 39653 to rat or porcine cerebral cortex membranes 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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