Detailed information for compound 256632

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.002 | Formula: C7H9Cl2NO7P2
  • H donors: 6 H acceptors: 7 LogP: -1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(P(=O)(O)O)(P(=O)(O)O)Nc1cc(Cl)cc(c1)Cl
  • InChi: 1S/C7H9Cl2NO7P2/c8-4-1-5(9)3-6(2-4)10-7(11,18(12,13)14)19(15,16)17/h1-3,10-11H,(H2,12,13,14)(H2,15,16,17)
  • InChiKey: VYRYXBZGNQRZTL-UHFFFAOYSA-N  

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 farnesyl diphosphate synthase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis farnesyl pyrophosphate 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
Trichomonas vaginalis geranylgeranyl diphosphate 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 infantum farnesyl pyrophosphate 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
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate 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
Trypanosoma brucei 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 cruzi farnesyl pyrophosphate synthase 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
Candida albicans similar to S. cerevisiae ERG20 (YJL167W) farnesyl diphosphate synthetase (FPP synthetase) 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
Giardia lamblia Farnesyl diphosphate synthase 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
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 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 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
Echinococcus multilocularis farnesyl 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
Plasmodium berghei geranylgeranyl pyrophosphate synthase, 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
Mycobacterium ulcerans geranylgeranyl 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
Echinococcus granulosus farnesyl 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
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 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
Candida albicans similar to S. cerevisiae ERG20 (YJL167W) farnesyl diphosphate synthetase (FPP synthetase) 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 major 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 farnesyl pyrophosphate synthase 0.0124 0.4286 0.4109
Echinococcus granulosus glutamate NMDA receptor subunit 0.0082 0.1126 0.1126
Leishmania major farnesyl pyrophosphate synthase 0.0124 0.4286 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0199 1 1
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0124 0.4286 0.5
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0124 0.4286 0.5
Echinococcus multilocularis NMDA receptor 0.0132 0.4883 0.4883
Loa Loa (eye worm) hypothetical protein 0.0105 0.2852 0.2993
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0199 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0199 1 1
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0124 0.4286 0.5
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0098 0.231 0.231
Giardia lamblia Farnesyl diphosphate synthase 0.0124 0.4286 0.5
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0154 0.6608 0.6608
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0124 0.4286 0.5
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0101 0.2566 0.1873
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0124 0.4286 0.5
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0098 0.231 0.231
Echinococcus multilocularis glutamate receptor 2 0.0082 0.1126 0.1126
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0199 1 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.5826 0.815
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0124 0.4286 0.5
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0124 0.4286 0.4286
Brugia malayi Polyprenyl synthetase family protein 0.0124 0.4286 1
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0132 0.4883 0.4883
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0124 0.4286 0.4286
Echinococcus multilocularis glutamate receptor 2 0.0098 0.231 0.231
Schistosoma mansoni glutamate receptor kainate 0.0184 0.8816 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0124 0.4286 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0132 0.4883 0.4883
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0124 0.4286 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0199 1 1
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0132 0.4883 0.4883
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0132 0.4883 0.4883
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0124 0.4286 0.5
Loa Loa (eye worm) polyprenyl synthetase 0.0124 0.4286 0.5478
Schistosoma mansoni glutamate receptor kainate 0.0184 0.8816 1
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0124 0.4286 0.5
Echinococcus granulosus glutamate receptor 2 0.0098 0.231 0.231
Loa Loa (eye worm) hypothetical protein 0.0158 0.6894 1
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0124 0.4286 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0098 0.231 0.154
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0082 0.1126 0.1126
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0124 0.4286 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = -4.37 Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M) ChEMBL. 14613320
IC50 (binding) = 43 uM Inhibitory activity against farnesyl Pyrophosphate Synthase was determined ChEMBL. 14613320
IC50 (binding) = 43 uM Inhibitory activity against farnesyl Pyrophosphate Synthase was determined ChEMBL. 14613320
Ki (binding) = 4.1 uM Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand ChEMBL. 14613320
Ki (binding) = 4.1 uM Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand ChEMBL. 14613320
Log IC50 (binding) = 4.37 Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M) ChEMBL. 14613320

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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