Detailed information for compound 1852130

Basic information

Technical information
  • TDR Targets ID: 1852130
  • Name: (2-amino-5-methyl1,3-oxazole-4-carbonyl)oxyme thylphosphonic acid
  • MW: 236.119 | Formula: C6H9N2O6P
  • H donors: 3 H acceptors: 5 LogP: -1.15 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nc(oc1C)N)OCP(=O)(O)O
  • InChi: 1S/C6H9N2O6P/c1-3-4(8-6(7)14-3)5(9)13-2-15(10,11)12/h2H2,1H3,(H2,7,8)(H2,10,11,12)
  • InChiKey: LGBLOVDZZVBSFB-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (2-amino-5-methyl-oxazole-4-carbonyl)oxymethylphosphonic acid
  • [(2-amino-5-methyl-4-oxazolyl)-oxomethoxy]methylphosphonic acid
  • (2-amino-5-methyl-1,3-oxazol-4-yl)carbonyloxymethylphosphonic acid

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
Candida albicans similar to S. cerevisiae FBP1 (YLR377C) 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
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 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
Leishmania mexicana fructose-1,6-bisphosphatase, cytosolic, putative 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
Schistosoma mansoni fructose-16-bisphosphatase-related 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
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 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
Leishmania braziliensis 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
Leishmania infantum fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Neospora caninum Fructose-1 6-biphosphatase, related 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
Trypanosoma cruzi fructose-1,6-bisphosphatase, 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
Schistosoma japonicum ko:K03841 fructose-1,6-bisphosphatase I, 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

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
Schistosoma mansoni hypothetical protein 0.0298 0.277 0.2522
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0138 0.0331 0.0331
Leishmania major carbonic anhydrase-like protein 0.0773 1 1
Brugia malayi Thrombospondin type 1 domain containing protein 0.0298 0.277 0.2522
Loa Loa (eye worm) hypothetical protein 0.0287 0.2598 0.2598
Schistosoma mansoni carbonic anhydrase-related 0.0287 0.2598 0.2344
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0189 0.1103 0.0799
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0138 0.0331 0.0331
Trypanosoma brucei carbonic anhydrase-like protein 0.0773 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0773 1 1
Echinococcus granulosus carbonic anhydrase II 0.0773 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0773 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0287 0.2598 0.2344
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0189 0.1103 0.1103
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0773 1 1
Brugia malayi fructose-1,6-bisphosphatase 0.0189 0.1103 0.0799
Loa Loa (eye worm) carbonic anhydrase 3 0.0773 1 1
Echinococcus multilocularis carbonic anhydrase 0.0287 0.2598 0.2598
Loa Loa (eye worm) hypothetical protein 0.0138 0.0331 0.0331
Echinococcus granulosus carbonic anhydrase 0.0287 0.2598 0.2598
Schistosoma mansoni carbonic anhydrase-related 0.0287 0.2598 0.2344
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0189 0.1103 0.1103
Echinococcus multilocularis carbonic anhydrase 0.0287 0.2598 0.2598
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0138 0.0331 0.0331
Echinococcus multilocularis carbonic anhydrase 0.0287 0.2598 0.2598
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0287 0.2598 0.2344
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0138 0.0331 0.0331
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0773 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0773 1 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0138 0.0331 0.0331
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0287 0.2598 0.2344
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0138 0.0331 0.0331
Loa Loa (eye worm) hypothetical protein 0.0287 0.2598 0.2598
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0287 0.2598 0.2344
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0287 0.2598 0.2344
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0773 1 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0138 0.0331 0.0331
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0287 0.2598 0.2598
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0138 0.0331 0.0331
Loa Loa (eye worm) hypothetical protein 0.0287 0.2598 0.2598
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0189 0.1103 0.1103
Schistosoma mansoni carbonic anhydrase 0.0287 0.2598 0.2344
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0138 0.0331 0.0331
Plasmodium falciparum carbonic anhydrase 0.0287 0.2598 0.5
Onchocerca volvulus 0.0298 0.277 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.0331 0.0331
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0138 0.0331 0.0331
Toxoplasma gondii hypothetical protein 0.0287 0.2598 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0138 0.0331 0.0331
Echinococcus granulosus carbonic anhydrase 0.0287 0.2598 0.2598
Schistosoma mansoni hypothetical protein 0.0287 0.2598 0.2344
Echinococcus granulosus carbonic anhydrase 0.0287 0.2598 0.2598
Echinococcus multilocularis carbonic anhydrase II 0.0773 1 1
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0298 0.277 0.277
Schistosoma mansoni carbonic anhydrase-related 0.0287 0.2598 0.2344
Loa Loa (eye worm) hypothetical protein 0.0138 0.0331 0.0331

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of rat liver FBPase ChEMBL. No reference
IC50 (binding) = 0.42 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.

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