Detailed information for compound 165471

Basic information

Technical information
  • TDR Targets ID: 165471
  • Name: [phosphono-(1,3-thiazol-2-ylamino)methyl]phos phonic acid
  • MW: 274.129 | Formula: C4H8N2O6P2S
  • H donors: 5 H acceptors: 7 LogP: -2.12 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OP(=O)(C(P(=O)(O)O)Nc1nccs1)O
  • InChi: 1S/C4H8N2O6P2S/c7-13(8,9)4(14(10,11)12)6-3-5-1-2-15-3/h1-2,4H,(H,5,6)(H2,7,8,9)(H2,10,11,12)
  • InChiKey: KCMZCJPKBVPPJD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [phosphono-(thiazol-2-ylamino)methyl]phosphonic acid
  • [phosphono-(2-thiazolylamino)methyl]phosphonic acid
  • 118054-12-9
  • NSC722620
  • [[(2-thiazolyl)amino]methylene]-1,1-bisphosphonate

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 tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 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
Leishmania infantum 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 falciparum geranylgeranyl pyrophosphate synthase, 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
Cryptosporidium hominis farnesyl pyrophosphate synthase 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
Plasmodium yoelii 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
Trichomonas vaginalis geranylgeranyl diphosphate 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
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 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
Trypanosoma congolense 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
Leishmania mexicana farnesyl pyrophosphate synthase, putative 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
Schistosoma mansoni farnesyl 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
Brugia malayi Polyprenyl synthetase family protein 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
Toxoplasma gondii polyprenyl synthetase superfamily protein 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
Schistosoma japonicum ko:K00787 dimethylallyltranstransferase [EC2.5.1.1], 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 major 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
Candida albicans similar to S. cerevisiae ERG20 (YJL167W) farnesyl diphosphate synthetase (FPP 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
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase Get druggable targets OG5_127590 All targets in OG5_127590
Neospora caninum hypothetical protein 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
Loa Loa (eye worm) polyprenyl synthetase 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
Mycobacterium ulcerans geranylgeranyl 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
Trichomonas vaginalis glutaminase, putative 0.0269 1 1
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0124 0.3901 1
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0124 0.3901 1
Leishmania major farnesyl pyrophosphate synthase 0.0124 0.3901 1
Brugia malayi Polyprenyl synthetase family protein 0.0124 0.3901 0.3901
Loa Loa (eye worm) polyprenyl synthetase 0.0124 0.3901 0.3901
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0124 0.3901 0.3901
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0124 0.3901 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0124 0.3901 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0693 0.1777
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0693 0.1777
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0031 0 0.5
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0124 0.3901 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0031 0 0.5
Brugia malayi hypothetical protein 0.0123 0.3865 0.3865
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0031 0 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0124 0.3901 0.3901
Schistosoma mansoni glutaminase 0.0269 1 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.3865 0.3865
Onchocerca volvulus Huntingtin homolog 0.0123 0.3865 0.5
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0031 0 0.5
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0123 0.3865 0.3865
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0124 0.3901 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0693 0.0693
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0693 0.0693
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0693 0.0693
Loa Loa (eye worm) glutaminase 2 0.0269 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0693 0.0693
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0124 0.3901 1
Loa Loa (eye worm) glutaminase 0.0269 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0693 0.1777
Onchocerca volvulus Huntingtin homolog 0.0123 0.3865 0.5
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0124 0.3901 1
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0124 0.3901 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0693 0.1777
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0693 0.0693
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0031 0 0.5
Giardia lamblia Farnesyl diphosphate synthase 0.0124 0.3901 0.5
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0031 0 0.5
Treponema pallidum octaprenyl-diphosphate synthase 0.0031 0 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0124 0.3901 0.3901
Mycobacterium ulcerans glutaminase 0.0269 1 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 5 ug kg-1 Effective dose in inhibiting osteoclastic bone resorption ChEMBL. 12825934
ED50 (functional) = 5 ug kg-1 Effective dose after subcutaneous administration to TPTX rats for 50% reduction of hypercalcemia ChEMBL. 12166945
ED50 (functional) = 5 ug kg-1 Effective dose in inhibiting osteoclastic bone resorption ChEMBL. 12825934
IC50 (functional) = -7.74 Negative logarithm of inhibitory concentration against bone resorption ChEMBL. 12825934
IC50 (functional) = 3.9 Growth inhibition of Plasmodium falciparum ChEMBL. 19053772
IC50 (functional) = 120 uM Growth inhibition of Plasmodium falciparum ChEMBL. 19053772
Log IC50 (functional) = 7.739 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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