Detailed information for compound 956273

Basic information

Technical information
  • TDR Targets ID: 956273
  • Name: (2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid
  • MW: 256.09 | Formula: C5H10N2O6P2
  • H donors: 4 H acceptors: 7 LogP: -3.54 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OP(=O)(C(P(=O)(O)O)Cn1cncc1)O
  • InChi: 1S/C5H10N2O6P2/c8-14(9,10)5(15(11,12)13)3-7-2-1-6-4-7/h1-2,4-5H,3H2,(H2,8,9,10)(H2,11,12,13)
  • InChiKey: FBSQLNMIJFINOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2-imidazol-1-yl-1-phosphono-ethyl)phosphonic acid
  • [2-(1-imidazolyl)-1-phosphonoethyl]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
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
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
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
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
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
Theileria parva farnesyl pyrophosphate synthetase, putative 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
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
Trypanosoma cruzi farnesyl 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
Giardia lamblia Farnesyl diphosphate synthase 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
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
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
Loa Loa (eye worm) beta-lactamase 0.0041 0.0732 0.2254
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0732 0.0417
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0732 0.2254
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0124 0.3125 1
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0124 0.3125 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0732 0.2254
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0031 0.0456 0.5
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0031 0.0456 0.1405
Brugia malayi Polyprenyl synthetase family protein 0.0031 0.0456 0.1405
Schistosoma mansoni trans-prenyltransferase 0.0031 0.0456 0.0257
Leishmania major hypothetical protein, conserved 0.0041 0.0732 0.1033
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0124 0.3125 1
Toxoplasma gondii ABC1 family protein 0.0041 0.0732 0.1033
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0732 0.036
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0732 0.036
Onchocerca volvulus 0.0041 0.0732 0.4954
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0385 0.1188
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0031 0.0456 0.0073
Schistosoma mansoni hypothetical protein 0.0039 0.0667 0.1029
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0667 0.0293
Onchocerca volvulus 0.0041 0.0732 0.4954
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0124 0.3125 1
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0732 0.0417
Leishmania major farnesyl pyrophosphate synthase 0.0124 0.3125 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0667 0.0293
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.3246 1
Mycobacterium ulcerans hypothetical protein 0.0041 0.0732 0.1033
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0124 0.3125 1
Onchocerca volvulus 0.0053 0.1084 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0732 0.2254
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0732 0.1033
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.1084 0.255
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0732 0.1033
Loa Loa (eye worm) hypothetical protein 0.0041 0.0732 0.2254
Loa Loa (eye worm) polyprenyl synthetase 0.0031 0.0456 0.1405
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0732 0.0417
Loa Loa (eye worm) hypothetical protein 0.0028 0.037 0.1141
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0732 0.0417
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0031 0.0456 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0732 0.1263
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0732 0.2254
Mycobacterium tuberculosis Conserved protein 0.0041 0.0732 0.0417
Brugia malayi beta-lactamase family protein 0.0041 0.0732 0.2254
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0124 0.3125 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0732 0.1263
Entamoeba histolytica hypothetical protein 0.0039 0.0667 1
Brugia malayi Polyprenyl synthetase family protein 0.0124 0.3125 0.9627
Brugia malayi MH2 domain containing protein 0.0128 0.3246 1
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0031 0.0456 0.1405
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0732 0.1033
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0031 0.0456 0.5
Loa Loa (eye worm) polyprenyl synthetase 0.0124 0.3125 0.9627
Loa Loa (eye worm) hypothetical protein 0.0041 0.0732 0.2254
Brugia malayi intermediate filament protein 0.0029 0.0385 0.1188
Loa Loa (eye worm) hypothetical protein 0.0029 0.0385 0.1188
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0732 1
Brugia malayi beta-lactamase family protein 0.0041 0.0732 0.2254
Onchocerca volvulus 0.0041 0.0732 0.4954
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0124 0.3125 0.2849
Mycobacterium tuberculosis Conserved protein 0.0041 0.0732 0.0417
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.3246 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0732 0.0417
Treponema pallidum octaprenyl-diphosphate synthase 0.0031 0.0456 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.0667 1
Mycobacterium tuberculosis Conserved protein 0.0041 0.0732 0.0417
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0385 0.1188
Loa Loa (eye worm) hypothetical protein 0.0041 0.0732 0.2254
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0124 0.3125 1
Entamoeba histolytica hypothetical protein 0.0039 0.0667 1
Brugia malayi hypothetical protein 0.0039 0.0667 0.2056
Mycobacterium leprae Probable lipase LipE 0.0041 0.0732 1
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0124 0.3125 0.4035
Echinococcus multilocularis tumor protein p63 0.0362 1 1
Entamoeba histolytica hypothetical protein 0.0039 0.0667 1
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0031 0.0456 0.0073
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0031 0.0456 0.0257
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0732 0.0417
Schistosoma mansoni glutathione synthetase 0.0031 0.0456 0.0257
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0261 0.707 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0732 0.0417
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0732 0.1033
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0732 0.1033
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0031 0.0456 0.0073
Brugia malayi beta-lactamase 0.0041 0.0732 0.2254
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0124 0.3125 1
Mycobacterium ulcerans beta-lactamase 0.0041 0.0732 0.1033
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0031 0.0456 0.0073
Loa Loa (eye worm) hypothetical protein 0.0041 0.0732 0.2254
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0124 0.3125 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0732 0.1033
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0031 0.0456 0.0073
Mycobacterium ulcerans lipase LipD 0.0041 0.0732 0.1033
Loa Loa (eye worm) hypothetical protein 0.0053 0.1084 0.334
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0124 0.3125 0.2849
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0667 0.1029
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0124 0.3125 1
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0124 0.3125 1
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0031 0.0456 0.0073
Giardia lamblia Farnesyl diphosphate synthase 0.0124 0.3125 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0124 0.3125 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0385 0.1188

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 15 % Induction of apoptosis in human K-562 cells expressing Bcr-Abl at 100 uM by flow cytometry ChEMBL. 18937434
Activity (functional) = 22 % Induction of apoptosis in human CCRF-CEM cells at 100 uM by flow cytometry ChEMBL. 18937434
Activity (functional) = 40 % Induction of apoptosis in human HUT78 cells at 100 uM by flow cytometry ChEMBL. 18937434
IC50 (binding) = 9.03 nM Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3) ChEMBL. 18937434

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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