Detailed information for compound 255444

Basic information

Technical information
  • TDR Targets ID: 255444
  • Name: [3-[fluoro(phosphono)methyl]phenyl]phosphonic acid
  • MW: 270.089 | Formula: C7H9FO6P2
  • H donors: 4 H acceptors: 6 LogP: -1.59 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(P(=O)(O)O)c1cccc(c1)P(=O)(O)O
  • InChi: 1S/C7H9FO6P2/c8-7(16(12,13)14)5-2-1-3-6(4-5)15(9,10)11/h1-4,7H,(H2,9,10,11)(H2,12,13,14)
  • InChiKey: XZDPWEPANOKRPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [fluoro-(3-phosphonophenyl)methyl]phosphonic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphoglycerate kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania major phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei gambiense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania mexicana phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Giardia lamblia Phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma congolense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Neospora caninum hypothetical protein Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania mexicana phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Mycobacterium ulcerans phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania major phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma cruzi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma japonicum ko:K00927 phosphoglycerate kinase [EC2.7.2.3], putative Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus multilocularis phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium vivax phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Toxoplasma gondii phosphoglycerate kinase PGKI Get druggable targets OG5_126776 All targets in OG5_126776
Toxoplasma gondii phosphoglycerate kinase PGKII Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma mansoni phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania infantum phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Treponema pallidum phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Cryptosporidium hominis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium knowlesi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma cruzi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium falciparum phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Theileria parva phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania infantum phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium yoelii phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Neospora caninum Phosphoglycerate kinase (EC 2.7.2.3), related Get druggable targets OG5_126776 All targets in OG5_126776
Cryptosporidium parvum phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Mycobacterium leprae Probable phosphoglycerate kinase Pgk Get druggable targets OG5_126776 All targets in OG5_126776
Brugia malayi Phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma mansoni phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania braziliensis PGKC, phosphoglycerate kinase C Get druggable targets OG5_126776 All targets in OG5_126776
Babesia bovis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Chlamydia trachomatis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma congolense phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Candida albicans 3-phosphoglycerate kinase similar to S. cerevisiae PGK1 (YCR012W) Get druggable targets OG5_126776 All targets in OG5_126776
Candida albicans 3-phosphoglycerate kinase similar to S. cerevisiae PGK1 (YCR012W) Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus granulosus phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126776 All targets in OG5_126776
Entamoeba histolytica phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium berghei phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma congolense phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trichomonas vaginalis phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trichomonas vaginalis phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania donovani phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei phosphoglycerate kinase phosphoglycerate kinase 2 417 aa 346 aa 43.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei phosphoglycerate kinase 0.0103 0.0292 0.0119
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0103 0.0292 0.0134
Brugia malayi prolyl oligopeptidase family protein 0.023 0.0883 0.072
Plasmodium vivax phosphoglycerate kinase, putative 0.0103 0.0292 0.3311
Trichomonas vaginalis pyruvate kinase, putative 0.0078 0.0175 0.1553
Loa Loa (eye worm) prolyl oligopeptidase 0.023 0.0883 0.0822
Brugia malayi prolyl oligopeptidase family protein 0.023 0.0883 0.072
Entamoeba histolytica dipeptidyl-peptidase, putative 0.023 0.0883 1
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0.0026 0.0295
Echinococcus multilocularis pyruvate kinase 0.0078 0.0175 0.0175
Plasmodium falciparum peptidase, putative 0.023 0.0883 1
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.023 0.0883 0.0883
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.023 0.0883 0.0883
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0103 0.0292 0.0119
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0872 0.3865 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.023 0.0883 0.0883
Loa Loa (eye worm) hypothetical protein 0.023 0.0883 0.0822
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.2192 1 1
Plasmodium vivax pyruvate kinase, putative 0.0078 0.0175 0.1986
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.023 0.0883 0.0883
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.023 0.0883 0.072
Echinococcus granulosus geminin 0.0197 0.073 0.073
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0872 0.3865 0.3756
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0872 0.3865 0.4214
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.023 0.0883 0.072
Treponema pallidum phosphoglycerate kinase 0.0103 0.0292 0.5
Echinococcus multilocularis phosphoglycerate kinase 1 0.0103 0.0292 0.0292
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.1962 0.8932 1
Loa Loa (eye worm) pyruvate kinase 0.0078 0.0175 0.011
Echinococcus multilocularis acylamino acid releasing enzyme 0.023 0.0883 0.0883
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.0026 0.0295
Trichomonas vaginalis conserved hypothetical protein 0.023 0.0883 1
Echinococcus multilocularis pyruvate kinase 0.0061 0.0099 0.0099
Giardia lamblia Pyruvate kinase 0.0078 0.0175 0.1986
Leishmania major oligopeptidase b 0.0872 0.3865 0.3756
Entamoeba histolytica dipeptidyl-peptidase, putative 0.023 0.0883 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.023 0.0883 0.0883
Schistosoma mansoni pyruvate kinase 0.0078 0.0175 0.0175
Loa Loa (eye worm) prolyl oligopeptidase 0.023 0.0883 0.0822
Trypanosoma cruzi oligopeptidase b 0.0872 0.3865 0.3756
Loa Loa (eye worm) hypothetical protein 0.023 0.0883 0.0822
Plasmodium vivax hypothetical protein, conserved 0.023 0.0883 1
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0103 0.0292 0.0317
Giardia lamblia Phosphoglycerate kinase 0.0103 0.0292 0.3311
Loa Loa (eye worm) hypothetical protein 0.0078 0.0175 0.011
Brugia malayi acetyltransferase, GNAT family protein 0.0169 0.0598 0.043
Schistosoma mansoni hypothetical protein 0.0197 0.073 0.073
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.023 0.0883 0.072
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0169 0.0598 0.0598
Schistosoma mansoni phosphoglycerate kinase 0.0103 0.0292 0.0292
Echinococcus granulosus pyruvate kinase 0.0078 0.0175 0.0175
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0103 0.0292 0.5
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0103 0.0292 0.0119
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.023 0.0883 1
Loa Loa (eye worm) acetyltransferase 0.0169 0.0598 0.0535
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0103 0.0292 0.0292
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.023 0.0883 0.072
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0872 0.3865 0.3756
Chlamydia trachomatis phosphoglycerate kinase 0.0103 0.0292 1
Leishmania major phosphoglycerate kinase B, cytosolic 0.0103 0.0292 0.0119
Mycobacterium tuberculosis Probable peptidase 0.0872 0.3865 0.4214
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.0045 0.0045
Plasmodium falciparum phosphoglycerate kinase 0.0103 0.0292 0.3311
Entamoeba histolytica pyruvate kinase, putative 0.0054 0.0066 0.047
Toxoplasma gondii hypothetical protein 0.023 0.0883 0.0883
Entamoeba histolytica prolyl oligopeptidase family protein 0.023 0.0883 1
Loa Loa (eye worm) pyruvate kinase 0.0078 0.0175 0.011
Echinococcus granulosus Dipeptidyl peptidase 9 0.023 0.0883 0.0883
Echinococcus multilocularis geminin 0.0197 0.073 0.073
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.0045 0.0512
Echinococcus granulosus acylamino acid releasing enzyme 0.023 0.0883 0.0883
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.023 0.0883 0.072
Toxoplasma gondii prolyl endopeptidase 0.2192 1 1
Entamoeba histolytica hypothetical protein, conserved 0.023 0.0883 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0103 0.0292 0.2949
Schistosoma mansoni pyruvate kinase 0.0078 0.0175 0.0175
Mycobacterium ulcerans phosphoglycerate kinase 0.0103 0.0292 0.0317
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.023 0.0883 0.072
Loa Loa (eye worm) pyruvate kinase 0.0078 0.0175 0.011
Trypanosoma cruzi hypothetical protein, conserved 0.023 0.0883 0.072
Loa Loa (eye worm) hypothetical protein 0.0103 0.0292 0.0228
Brugia malayi Phosphoglycerate kinase 0.0103 0.0292 0.0119
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0103 0.0292 0.2949
Trypanosoma brucei phosphoglycerate kinase 0.0103 0.0292 0.0119
Giardia lamblia Alanyl dipeptidyl peptidase 0.023 0.0883 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0169 0.0598 0.0598
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0872 0.3865 0.3756
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.005 0.0045 0.0045
Entamoeba histolytica prolyl oligopeptidase family protein 0.023 0.0883 1
Echinococcus granulosus phosphoglycerate kinase 1 0.0103 0.0292 0.0292
Trichomonas vaginalis pyruvate kinase, putative 0.0078 0.0175 0.1553
Schistosoma mansoni hypothetical protein 0.0197 0.073 0.073
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.023 0.0883 0.0883
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.023 0.0883 0.0883
Plasmodium falciparum pyruvate kinase 0.0078 0.0175 0.1986
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0872 0.3865 1
Brugia malayi prolyl oligopeptidase family protein 0.023 0.0883 0.072
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.023 0.0883 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.023 0.0883 1
Schistosoma mansoni phosphoglycerate kinase 0.0103 0.0292 0.0292
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.023 0.0883 0.0883
Giardia lamblia Alanyl dipeptidyl peptidase 0.023 0.0883 1
Brugia malayi prolyl oligopeptidase family protein 0.023 0.0883 0.072
Toxoplasma gondii pyruvate kinase PyK1 0.0078 0.0175 0.0175
Echinococcus multilocularis pyruvate kinase 0.0078 0.0175 0.0175
Onchocerca volvulus Prolyl endopeptidase homolog 0.2192 1 1
Trypanosoma brucei oligopeptidase b 0.0872 0.3865 0.3756
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0103 0.0292 0.0292
Echinococcus granulosus prolyl endopeptidase 0.2192 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.2192 1 1
Loa Loa (eye worm) hypothetical protein 0.2192 1 1
Entamoeba histolytica phosphoglycerate kinase, putative 0.0103 0.0292 0.3107
Trypanosoma cruzi prolyl endopeptidase 0.2192 1 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.023 0.0883 0.072
Leishmania major phosphoglycerate kinase C, glycosomal 0.0103 0.0292 0.0119
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.2192 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0164 0.0576 0.0576
Echinococcus multilocularis prolyl endopeptidase 0.2192 1 1
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0872 0.3865 0.3756
Trypanosoma brucei prolyl endopeptidase 0.2192 1 1
Echinococcus granulosus pyruvate kinase 0.0078 0.0175 0.0175
Trypanosoma cruzi oligopeptidase b 0.0872 0.3865 0.3756
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.005 0.0045 0.0045
Trypanosoma cruzi hypothetical protein, conserved 0.023 0.0883 0.072
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.023 0.0883 0.0883
Trypanosoma brucei prolyl oligopeptidase, putative 0.0872 0.3865 0.3756

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16 uM Inhibitory activity against 3-phosphoglycerate kinase. ChEMBL. 9871609
IC50 (binding) = 16 uM Inhibitory activity against 3-phosphoglycerate kinase. ChEMBL. 9871609
pKa3 = 5.8 Dissocation constant (pKa3) ChEMBL. 9871609
pKa4 = 6.99 Dissocation constant (pKa4) ChEMBL. 9871609

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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