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
Leishmania major 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 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
Toxoplasma gondii polyprenyl synthetase superfamily 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
Leishmania donovani 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
Leishmania braziliensis 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 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
Giardia lamblia Farnesyl diphosphate 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
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
Trichomonas vaginalis geranylgeranyl diphosphate 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
Cryptosporidium hominis 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
Candida albicans similar to S. cerevisiae ERG20 (YJL167W) farnesyl diphosphate synthetase (FPP synthetase) 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
Echinococcus multilocularis 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
Schistosoma mansoni 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
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
Plasmodium vivax geranylgeranyl pyrophosphate synthase 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 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
Leishmania infantum farnesyl pyrophosphate 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
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
Brugia malayi Steroid receptor seven-up type 2 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0141 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0141 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0141 1 1
Brugia malayi steroid hormone receptor 0.0141 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0141 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0141 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.1071
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0141 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0141 1 1
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0124 0.7705 0.5
Brugia malayi nuclear receptor NHR-88 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-3 0.0141 1 1
Schistosoma mansoni nuclear hormone receptor 0.0141 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0141 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0141 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0141 1 1
Echinococcus granulosus FTZ F1 alpha 0.0141 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0141 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0074 0.1071 0.1071
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0074 0.1071 0.1071
Leishmania major farnesyl pyrophosphate synthase 0.0124 0.7705 0.5
Brugia malayi Polyprenyl synthetase family protein 0.0124 0.7705 0.7705
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0074 0.1071 0.1071
Schistosoma mansoni coup transcription factor 0.0141 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Schistosoma mansoni thyroid hormone receptor 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0141 1 1
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0124 0.7705 0.5
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0124 0.7705 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0141 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0124 0.7705 0.5
Onchocerca volvulus 0.0141 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0141 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0141 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0141 1 1
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0124 0.7705 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0141 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0141 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0141 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0141 1 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0124 0.7705 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0141 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0141 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0141 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0141 1 1
Brugia malayi nuclear receptor RXR 0.0074 0.1071 0.1071
Brugia malayi Nuclear hormone receptor-like 1 0.0074 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0141 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0141 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0141 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0141 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0141 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0141 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0074 0.1071 0.1071
Schistosoma mansoni thyroid hormone receptor 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0124 0.7705 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0141 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0141 1 1
Brugia malayi nuclear hormone receptor 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
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Giardia lamblia Farnesyl diphosphate synthase 0.0124 0.7705 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0141 1 1
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0124 0.7705 0.7705
Loa Loa (eye worm) hypothetical protein 0.0141 1 1
Brugia malayi hypothetical protein 0.0074 0.1071 0.1071
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0141 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.1071
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0141 1 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0124 0.7705 0.5
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0124 0.7705 0.7705
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0141 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0141 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0141 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0141 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0141 1 1
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0124 0.7705 0.5
Brugia malayi hypothetical protein 0.0074 0.1071 0.1071
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0124 0.7705 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0141 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0074 0.1071 0.1071
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0124 0.7705 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0074 0.1071 0.1071
Loa Loa (eye worm) polyprenyl synthetase 0.0124 0.7705 0.7705
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0124 0.7705 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0141 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 1 1

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.