Detailed information for compound 163277

Basic information

Technical information
  • TDR Targets ID: 163277
  • Name: [1-phosphono-2-(1,3-thiazol-2-yl)ethyl]phosph onic acid
  • MW: 273.141 | Formula: C5H9NO6P2S
  • H donors: 4 H acceptors: 7 LogP: -2.24 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OP(=O)(C(P(=O)(O)O)Cc1nccs1)O
  • InChi: 1S/C5H9NO6P2S/c7-13(8,9)5(14(10,11)12)3-4-6-1-2-15-4/h1-2,5H,3H2,(H2,7,8,9)(H2,10,11,12)
  • InChiKey: JGERUCQQMGBXSJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1-phosphono-2-thiazol-2-yl-ethyl)phosphonic acid
  • [1-phosphono-2-(2-thiazolyl)ethyl]phosphonic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens farnesyl diphosphate synthase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Trypanosoma brucei farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Cryptosporidium hominis farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Loa Loa (eye worm) polyprenyl synthetase Get druggable targets OG5_127590 All targets in OG5_127590
Cryptosporidium parvum putative farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Plasmodium vivax geranylgeranyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Leishmania major farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Plasmodium knowlesi geranylgeranyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Theileria parva farnesyl pyrophosphate synthetase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Leishmania braziliensis farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Neospora caninum hypothetical protein Get druggable targets OG5_127590 All targets in OG5_127590
Trypanosoma cruzi farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Babesia bovis farnesyl pyrophosphate synthetase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) Get druggable targets OG5_127590 All targets in OG5_127590
Trypanosoma congolense farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Echinococcus granulosus farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Giardia lamblia Farnesyl diphosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Toxoplasma gondii polyprenyl synthetase superfamily protein Get druggable targets OG5_127590 All targets in OG5_127590
Leishmania mexicana farnesyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Plasmodium yoelii farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Candida albicans similar to S. cerevisiae ERG20 (YJL167W) farnesyl diphosphate synthetase (FPP synthetase) Get druggable targets OG5_127590 All targets in OG5_127590
Candida albicans similar to S. cerevisiae ERG20 (YJL167W) farnesyl diphosphate synthetase (FPP synthetase) Get druggable targets OG5_127590 All targets in OG5_127590
Plasmodium berghei geranylgeranyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Trypanosoma brucei gambiense farnesyl pyrophosphate synthase, putative Get druggable targets OG5_127590 All targets in OG5_127590
Echinococcus multilocularis farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Leishmania donovani farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Leishmania infantum farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Brugia malayi Polyprenyl synthetase family protein Get druggable targets OG5_127590 All targets in OG5_127590
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Schistosoma japonicum ko:K00787 dimethylallyltranstransferase [EC2.5.1.1], putative Get druggable targets OG5_127590 All targets in OG5_127590
Schistosoma mansoni farnesyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
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
Schistosoma mansoni glutathione synthetase 0.0031 0.031 0.0342
Trypanosoma brucei Peptide deformylase 2 0.0088 0.2147 0.6223
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0031 0.031 1
Chlamydia trachomatis peptide deformylase 0.023 0.6774 1
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0124 0.3325 1
Schistosoma mansoni hypothetical protein 0.03 0.9047 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0031 0.031 0.0457
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0711 0.2138
Treponema pallidum polypeptide deformylase (def) 0.023 0.6774 1
Leishmania major solanesyl-diphosphate synthase, putative 0.0031 0.031 0.0932
Echinococcus granulosus snurportin 1 0.03 0.9047 0.9047
Trypanosoma cruzi polyprenyl synthase, putative 0.0031 0.031 0.0932
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0289 0.0427
Loa Loa (eye worm) polyprenyl synthetase 0.0031 0.031 0.0342
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0124 0.3325 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0088 0.2147 0.6457
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0031 0.031 0.031
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.03 0.9047 1
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0031 0.031 0.031
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0031 0.031 0.031
Plasmodium vivax importin-beta 2, putative 0.0028 0.0206 0.0304
Echinococcus multilocularis dna polymerase eta 0.0044 0.0711 0.0711
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0124 0.3325 1
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0158 0.4443 0.4911
Leishmania major DNA polymerase eta, putative 0.0031 0.0289 0.087
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0124 0.3325 0.4909
Schistosoma mansoni DNA polymerase eta 0.0044 0.0711 0.0786
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0158 0.4443 0.4911
Echinococcus multilocularis snurportin 1 0.03 0.9047 0.9047
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0711 0.1619
Leishmania major farnesyl pyrophosphate synthase 0.0124 0.3325 1
Mycobacterium ulcerans peptide deformylase 0.023 0.6774 1
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0711 0.16
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0124 0.3325 0.3325
Toxoplasma gondii hypothetical protein 0.023 0.6774 1
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0031 0.031 0.0342
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0158 0.4443 0.4443
Plasmodium vivax peptide deformylase, putative 0.023 0.6774 1
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0031 0.031 0.0932
Leishmania major polyprenyl synthase, putative 0.0031 0.031 0.0932
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0031 0.031 0.031
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0124 0.3325 1
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0031 0.031 0.0333
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0031 0.031 0.031
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0124 0.3325 0.4909
Onchocerca volvulus 0.0158 0.4443 1
Giardia lamblia Farnesyl diphosphate synthase 0.0124 0.3325 0.5
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0124 0.3325 1
Trypanosoma brucei Polypeptide deformylase 1 0.0088 0.2147 0.6223
Leishmania major importin beta-1 subunit, putative 0.0023 0.0033 0.0099
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0124 0.3325 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.023 0.6774 1
Onchocerca volvulus 0.0048 0.0859 0.1934
Leishmania major DNA polymerase eta, putative 0.0044 0.0711 0.2138
Plasmodium falciparum importin beta, putative 0.0028 0.0206 0.0304
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0124 0.3325 0.4665
Loa Loa (eye worm) hypothetical protein 0.0158 0.4443 0.4911
Trypanosoma cruzi polyprenyl synthase, putative 0.0031 0.031 0.0932
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.023 0.6774 1
Echinococcus granulosus dna polymerase eta 0.0044 0.0711 0.0711
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0206 0.0304
Plasmodium falciparum peptide deformylase 0.023 0.6774 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0859 0.095
Loa Loa (eye worm) hypothetical protein 0.0028 0.0206 0.0228
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0206 0.0206
Brugia malayi Polyprenyl synthetase family protein 0.0124 0.3325 0.7484
Brugia malayi Polyprenyl synthetase family protein 0.0031 0.031 0.0697
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0031 0.031 1
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0158 0.4443 0.4443
Trypanosoma cruzi Peptide deformylase 2, putative 0.0088 0.2147 0.6457
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0124 0.3325 0.4665
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0289 0.087
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0031 0.031 0.0697
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0124 0.3325 0.4909
Brugia malayi Importin beta-1 subunit 0.0028 0.0206 0.0463
Schistosoma mansoni importin beta-1 0.0028 0.0206 0.0228
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0031 0.031 0.0457
Echinococcus granulosus importin subunit beta 1 0.0028 0.0206 0.0206
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0124 0.3325 0.3325
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0031 0.031 1
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0124 0.3325 0.3675
Loa Loa (eye worm) pip kinase 2 0.0158 0.4443 0.4911
Loa Loa (eye worm) polyprenyl synthetase 0.0124 0.3325 0.3675
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0031 0.031 0.0342
Loa Loa (eye worm) hypothetical protein 0.0044 0.0711 0.0786
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0088 0.2147 0.6457
Brugia malayi RNA, U transporter 1 0.008 0.1891 0.4255
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0859 0.095
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0031 0.031 0.0457
Echinococcus multilocularis tumor protein p63 0.0329 1 1
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0031 0.031 0.0932
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0031 0.031 0.031
Brugia malayi Pip kinase protein 2 0.0158 0.4443 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0124 0.3325 0.4665
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0033 0.0099
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0031 0.031 0.0932
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.023 0.6774 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0088 0.2147 0.6457
Schistosoma mansoni trans-prenyltransferase 0.0031 0.031 0.0342
Leishmania major polypeptide deformylase-like protein, putative 0.0088 0.2147 0.6457

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 200 ug kg-1 Effective dose in inhibiting osteoclastic bone resorption ChEMBL. 12825934
ED50 (functional) = 200 ug kg-1 Effective dose after subcutaneous administration to TPTX rats for 50% reduction of hypercalcemia ChEMBL. 12166945
ED50 (functional) = 200 ug kg-1 Effective dose in inhibiting osteoclastic bone resorption ChEMBL. 12825934
IC50 (functional) = -6.135 Negative logarithm of inhibitory concentration against bone resorption ChEMBL. 12825934
Log IC50 (functional) = 6.135 Negative logarithm of inhibitory concentration against bone resorption ChEMBL. 12825934

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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