Detailed information for compound 452455

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 251.826 | Formula: C5H5Li4O8P
  • H donors: 0 H acceptors: 7 LogP: -0.94 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-]C(=O)CC[C@@H](C(=O)[O-])OP(=O)([O-])[O-].[Li+].[Li+].[Li+].[Li+]
  • InChi: 1S/C5H9O8P.4Li/c6-4(7)2-1-3(5(8)9)13-14(10,11)12;;;;/h3H,1-2H2,(H,6,7)(H,8,9)(H2,10,11,12);;;;/q;4*+1/p-4/t3-;;;;/m0..../s1
  • InChiKey: UPKGKHPZAULCCX-QVTWQEFQSA-J  

Network

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Synonyms

No synonyms found for this compound

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
Schistosoma mansoni NAALADASE L peptidase (M28 family) 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 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
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 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
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

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
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0226 0.0623 0.5
Plasmodium falciparum peptidase, putative 0.0226 0.0623 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.1362 0.654 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.2027 1 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0226 0.0623 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.0623 0.0621
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0226 0.0623 0.0949
Echinococcus multilocularis acylamino acid releasing enzyme 0.0226 0.0623 0.0621
Loa Loa (eye worm) prolyl oligopeptidase 0.2027 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0226 0.0623 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0226 0.0623 0.0949
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.2027 1 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.1362 0.654 0.6539
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0226 0.0623 0.0623
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0226 0.0623 0.0623
Toxoplasma gondii hypothetical protein 0.0226 0.0623 0.1397
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0961 0.4447 1
Brugia malayi prolyl oligopeptidase family protein 0.1362 0.654 0.6539
Entamoeba histolytica hypothetical protein, conserved 0.0226 0.0623 1
Trypanosoma cruzi oligopeptidase b 0.0226 0.0623 0.0949
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0226 0.0623 1
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0163 0.0293 0.029
Loa Loa (eye worm) hypothetical protein 0.0111 0.0021 0.0018
Trypanosoma cruzi hypothetical protein, conserved 0.0226 0.0623 0.0949
Entamoeba histolytica prolyl oligopeptidase family protein 0.0226 0.0623 1
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0226 0.0623 1
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.1996 0.9841 0.9841
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.1362 0.654 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0226 0.0623 0.5
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0226 0.0623 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.1362 0.654 1
Brugia malayi prolyl oligopeptidase family protein 0.0226 0.0623 0.0621
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0226 0.0623 0.0623
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.1362 0.654 0.654
Brugia malayi hypothetical protein 0.0734 0.3267 0.3266
Trichomonas vaginalis conserved hypothetical protein 0.0226 0.0623 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.2027 1 1
Trypanosoma cruzi prolyl endopeptidase 0.0226 0.0623 0.0949
Brugia malayi prolyl oligopeptidase family protein 0.0226 0.0623 0.0621
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0226 0.0623 0.0623
Schistosoma mansoni lysosomal Pro-Xaa carboxypeptidase (S28 family) 0.0107 0.0002 0.0002
Echinococcus granulosus acylamino acid releasing enzyme 0.0226 0.0623 0.0621
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.1996 0.9841 0.9841
Echinococcus granulosus prolyl endopeptidase 0.0226 0.0623 0.0621
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.1362 0.654 1
Loa Loa (eye worm) hypothetical protein 0.0734 0.3267 0.3266
Trypanosoma cruzi oligopeptidase b 0.0226 0.0623 0.0949
Loa Loa (eye worm) hypothetical protein 0.0226 0.0623 0.0621
Loa Loa (eye worm) prolyl oligopeptidase 0.0226 0.0623 0.0621
Loa Loa (eye worm) hypothetical protein 0.0628 0.2716 0.2714
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.1362 0.654 1
Plasmodium vivax hypothetical protein, conserved 0.0226 0.0623 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0226 0.0623 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.0236 0.0234
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.1996 0.9841 0.9841
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0226 0.0623 0.1397
Brugia malayi prolyl oligopeptidase family protein 0.0226 0.0623 0.0621
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.2027 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0226 0.0623 0.0949
Echinococcus multilocularis prolyl endopeptidase 0.0226 0.0623 0.0621
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0226 0.0623 1
Toxoplasma gondii prolyl endopeptidase 0.0226 0.0623 0.1397
Loa Loa (eye worm) hypothetical protein 0.0167 0.0313 0.0311
Mycobacterium tuberculosis Probable peptidase 0.0226 0.0623 0.5
Onchocerca volvulus Prolyl endopeptidase homolog 0.0226 0.0623 0.0621
Echinococcus granulosus Dipeptidyl peptidase 9 0.1362 0.654 0.6539
Giardia lamblia Alanyl dipeptidyl peptidase 0.0226 0.0623 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0226 0.0623 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15 nM Inhibition of PSMA ChEMBL. 17869524
IC50 (binding) = 15 nM Inhibition of PSMA ChEMBL. 17869524

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

1 literature reference was collected for this gene.

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