Detailed information for compound 230317

Basic information

Technical information
  • TDR Targets ID: 230317
  • Name: 2-[[(2-fluorophenyl)methyl-hydroxyphosphoryl] methyl]pentanedioic acid
  • MW: 318.235 | Formula: C13H16FO6P
  • H donors: 3 H acceptors: 6 LogP: -0.13 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCC(C(=O)O)CP(=O)(Cc1ccccc1F)O
  • InChi: 1S/C13H16FO6P/c14-11-4-2-1-3-9(11)7-21(19,20)8-10(13(17)18)5-6-12(15)16/h1-4,10H,5-8H2,(H,15,16)(H,17,18)(H,19,20)
  • InChiKey: LGBHWCHYODMSKL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[(2-fluorophenyl)methyl-hydroxy-phosphoryl]methyl]pentanedioic acid
  • 2-[[(2-fluorobenzyl)-hydroxy-phosphoryl]methyl]glutaric acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate carboxypeptidase II Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Candida albicans similar to transferrin receptor 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
Schistosoma mansoni NAALADASE L peptidase (M28 family) Get druggable targets OG5_128101 All targets in OG5_128101
Candida albicans hypothetical protein 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans similar to secretory protein Ssp134p Glutamate carboxypeptidase II   752 aa 717 aa 23.4 %
Candida albicans similar to secretory protein Ssp134p Glutamate carboxypeptidase II   752 aa 717 aa 23.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni peptidylglycine monooxygenase 0.0124 0.365 0.1345
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0233 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.5297 0.3381
Schistosoma mansoni dopamine-beta-monooxygenase 0.0124 0.365 0.1345
Loa Loa (eye worm) hypothetical protein 0.0167 0.6159 0.4594
Loa Loa (eye worm) hypothetical protein 0.0233 1 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0063 0.0107 0.0107
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0124 0.365 0.365
Loa Loa (eye worm) hypothetical protein 0.0124 0.365 0.1063
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0233 1 1
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0233 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 156 nM Inhibitory concentration against rat brain NAALADase (Folate hydrolase) ChEMBL. 11708918
IC50 (binding) = 156 nM Inhibitory concentration against rat brain NAALADase (Folate hydrolase) ChEMBL. 11708918

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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