Detailed information for compound 333109

Basic information

Technical information
  • TDR Targets ID: 333109
  • Name: (2R)-2-(phosphonomethyl)pentanedioic acid
  • MW: 226.121 | Formula: C6H11O7P
  • H donors: 4 H acceptors: 7 LogP: -2.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CC[C@H](C(=O)O)CP(=O)(O)O
  • InChi: 1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/t4-/m0/s1
  • InChiKey: ISEYJGQFXSTPMQ-BYPYZUCNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R)-2-(phosphonomethyl)glutaric acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens folate hydrolase (prostate-specific membrane antigen) 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to transferrin receptor Get druggable targets OG5_128101 All targets in OG5_128101
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 Get druggable targets OG5_128101 All targets in OG5_128101
Candida albicans hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
Schistosoma mansoni NAALADASE L peptidase (M28 family) Get druggable targets OG5_128101 All targets in OG5_128101
Schistosoma japonicum ko:K01301 glutamate carboxypeptidase II [EC3.4.17.21], putative Get druggable targets OG5_128101 All targets in OG5_128101
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
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
Trypanosoma brucei glutaminyl cyclase, putative 0.0033 0 0.5
Brugia malayi Peptidase family M28 containing protein 0.0033 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0456 0.905 0.905
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0033 0 0.5
Toxoplasma gondii peptidase, M28 family protein 0.0033 0 0.5
Leishmania major hypothetical protein, conserved 0.0033 0 0.5
Onchocerca volvulus Glutaminyl cyclase homolog 0.0033 0 0.5
Brugia malayi nicalin 0.0033 0 0.5
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0489 0.9745 1
Trypanosoma cruzi glutaminyl cyclase, putative 0.0033 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0033 0 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0033 0 0.5
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.032 0.6146 1
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0033 0 0.5
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0045 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.0332 0.6401 0.6401
Trypanosoma cruzi glutaminyl cyclase, putative 0.0033 0 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0033 0 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0033 0 0.5
Leishmania major glutaminyl cyclase, putative 0.0033 0 0.5
Onchocerca volvulus 0.0033 0 0.5
Brugia malayi FXNA 0.0033 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0033 0 0.5
Toxoplasma gondii hypothetical protein 0.0033 0 0.5
Brugia malayi leucyl aminopeptidase 0.0033 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0033 0 0.5
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0033 0 0.5
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0045 0.0255 1
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0033 0 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 70 nM Neuroprotective effect of the compound against ischemic injury with median effective concentrationin in rat ChEMBL. 15801825
IC50 (binding) = 30 nM In vitro inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to Glutamate carboxypeptidase II ChEMBL. 15801825
Ki (binding) = 30 nM Binding affinity to NAALADase ChEMBL. 23025786

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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