Detailed information for compound 1848382

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 287.166 | Formula: C9H10N3O6P
  • H donors: 4 H acceptors: 5 LogP: -1.27 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)c1oc(nc1c1ccc(o1)P(=O)(O)O)N
  • InChi: 1S/C9H10N3O6P/c1-11-8(13)7-6(12-9(10)18-7)4-2-3-5(17-4)19(14,15)16/h2-3H,1H3,(H2,10,12)(H,11,13)(H2,14,15,16)
  • InChiKey: JBTIPCKQKYSTJH-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 fructose-1,6-bisphosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Fructose-1 6-biphosphatase, related Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania infantum fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania braziliensis fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Schistosoma japonicum ko:K03841 fructose-1,6-bisphosphatase I, putative Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania donovani fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Loa Loa (eye worm) fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 Get druggable targets OG5_127400 All targets in OG5_127400
Toxoplasma gondii fructose-bisphospatase II Get druggable targets OG5_127400 All targets in OG5_127400
Candida albicans similar to S. cerevisiae FBP1 (YLR377C) Fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma brucei gambiense fructose-1,6-bisphosphate, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Schistosoma mansoni fructose-16-bisphosphatase-related Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma brucei fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania major Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania mexicana fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Echinococcus granulosus fructose 16 bisphosphatase 1 Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma congolense fructose-1,6-bisphosphate, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii fructose-bisphospatase I fructose-1,6-bisphosphatase 1 338 aa 326 aa 31.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0338 1 1
Loa Loa (eye worm) hypothetical protein 0.0338 1 1
Brugia malayi fructose-1,6-bisphosphatase 0.0189 0.1656 0.1656
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0338 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0338 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0338 1 1
Brugia malayi nuclear receptor NHR-88 0.0338 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0338 1 1
Brugia malayi nuclear receptor RXR 0.0179 0.1071 0.1071
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0189 0.1656 0.5
Brugia malayi hypothetical protein 0.0179 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0338 1 1
Loa Loa (eye worm) hypothetical protein 0.0338 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0338 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0338 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0338 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0338 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0338 1 1
Schistosoma mansoni coup transcription factor 0.0338 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0338 1 1
Brugia malayi hypothetical protein 0.0179 0.1071 0.1071
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0338 1 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.1071 0.1071
Echinococcus multilocularis ecdysone induced protein 78C 0.0338 1 1
Toxoplasma gondii fructose-bisphospatase II 0.0189 0.1656 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0338 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0338 1 1
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0189 0.1656 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0338 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0338 1 1
Loa Loa (eye worm) hypothetical protein 0.0338 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0338 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0338 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0338 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0338 1 1
Onchocerca volvulus 0.0338 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0338 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0338 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0338 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0179 0.1071 0.1071
Schistosoma mansoni thyroid hormone receptor 0.0338 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0179 0.1071 0.1071
Schistosoma mansoni thyroid hormone receptor 0.0338 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0338 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0338 1 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0338 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0338 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0338 1 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0189 0.1656 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0338 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0338 1 1
Loa Loa (eye worm) hypothetical protein 0.0338 1 1
Brugia malayi steroid hormone receptor 0.0338 1 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0338 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0338 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0338 1 1
Schistosoma mansoni nuclear hormone receptor 0.0338 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0338 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0179 0.1071 0.1071
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0189 0.1656 0.1656
Leishmania major 0.0189 0.1656 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0338 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0338 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0179 0.1071 0.1071
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0338 1 1
Loa Loa (eye worm) hypothetical protein 0.0338 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0338 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0338 1 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0338 1 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0338 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0338 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0338 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0338 1 1
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0189 0.1656 0.1656
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0189 0.1656 0.1656
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0338 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0338 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0338 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0338 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0179 0.1071 0.1071
Brugia malayi Nuclear hormone receptor-like 1 0.0179 0.1071 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0338 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0338 1 1
Loa Loa (eye worm) hypothetical protein 0.0338 1 1
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0189 0.1656 0.1656
Echinococcus granulosus FTZ F1 alpha 0.0338 1 1
Brugia malayi nuclear hormone receptor 0.0338 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0338 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0338 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0338 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0179 0.1071 0.1071

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of rat liver FBPase ChEMBL. No reference
IC50 (binding) = 1 uM Inhibition of human liver FBPase ChEMBL. No reference

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

No literature references available for this target.

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