Detailed information for compound 1261921

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 351.165 | Formula: C10H12FN3O6P2
  • H donors: 5 H acceptors: 8 LogP: -2.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OP(=O)(C(P(=O)(O)O)(Cc1cncc(c1)c1c[nH]nc1)F)O
  • InChi: 1S/C10H12FN3O6P2/c11-10(21(15,16)17,22(18,19)20)2-7-1-8(4-12-3-7)9-5-13-14-6-9/h1,3-6H,2H2,(H,13,14)(H2,15,16,17)(H2,18,19,20)
  • InChiKey: AOQKAONFTODMIY-UHFFFAOYSA-N  


Substructure search Similarity search

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
Babesia bovis farnesyl pyrophosphate synthetase, 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
Plasmodium knowlesi geranylgeranyl 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 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
Trichomonas vaginalis geranylgeranyl diphosphate 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
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
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
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
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 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
Trichomonas vaginalis 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
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
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
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
Echinococcus granulosus 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
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 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
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
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
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0074 0.1071 0.1071
Brugia malayi Nuclear hormone receptor-like 1 0.0074 0.1071 0.1071
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0141 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0141 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0141 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0074 0.1071 0.1071
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0141 1 1
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0124 0.7705 0.7705
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0141 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0141 1 1
Echinococcus granulosus FTZ F1 alpha 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0141 1 1
Onchocerca volvulus 0.0141 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0124 0.7705 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0141 1 1
Brugia malayi Polyprenyl synthetase family protein 0.0124 0.7705 0.7705
Brugia malayi hypothetical protein 0.0074 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0141 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0141 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0141 1 1
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0124 0.7705 0.5
Leishmania major farnesyl pyrophosphate synthase 0.0124 0.7705 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0141 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0141 1 1
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0124 0.7705 0.7705
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0124 0.7705 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0141 1 1
Loa Loa (eye worm) polyprenyl synthetase 0.0124 0.7705 0.7705
Schistosoma mansoni retinoic acid receptor RXR 0.0141 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0141 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.1071
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0124 0.7705 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0141 1 1
Schistosoma mansoni nuclear hormone receptor 0.0141 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0124 0.7705 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0141 1 1
Brugia malayi nuclear hormone receptor 0.0141 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0141 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0074 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0141 1 1
Schistosoma mansoni coup transcription factor 0.0141 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0141 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0074 0.1071 0.1071
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0141 1 1
Giardia lamblia Farnesyl diphosphate synthase 0.0124 0.7705 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.1071
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0141 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.1071
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0141 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0141 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0141 1 1
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0124 0.7705 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0141 1 1
Brugia malayi steroid hormone receptor 0.0141 1 1
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0124 0.7705 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Brugia malayi hypothetical protein 0.0074 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0141 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0141 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0141 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0141 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0141 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0141 1 1
Schistosoma mansoni thyroid hormone receptor 0.0141 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0141 1 1
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0124 0.7705 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0141 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0074 0.1071 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0141 1 1
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0124 0.7705 0.5
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0124 0.7705 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0124 0.7705 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0074 0.1071 0.1071
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0124 0.7705 0.7705
Echinococcus multilocularis thyroid hormone receptor alpha 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0141 1 1
Schistosoma mansoni thyroid hormone receptor 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0141 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0141 1 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0124 0.7705 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.1071
Brugia malayi nuclear receptor RXR 0.0074 0.1071 0.1071
Onchocerca volvulus Protein ultraspiracle homolog 0.0141 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0141 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Brugia malayi nuclear receptor NHR-88 0.0141 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.1071

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 650 nM Inhibition of N-terminal His-tagged human FPPS expressed in Escherichia coli ChEMBL. 20801032
Inhibition (binding) > 50 % Inhibition of N-terminal His-tagged human FPPS expressed in Escherichia coli at 1 uM ChEMBL. 20801032

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.