Detailed information for compound 324290

Basic information

Technical information
  • TDR Targets ID: 324290
  • Name: (1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-prop-2-en oxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
  • MW: 259.231 | Formula: C11H14FNO5
  • H donors: 3 H acceptors: 4 LogP: -2.76 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCO[C@@H]1C[C@@H]2[C@H]([C@]1(N)C(=O)O)[C@@]2(F)C(=O)O
  • InChi: 1S/C11H14FNO5/c1-2-3-18-6-4-5-7(10(5,12)8(14)15)11(6,13)9(16)17/h2,5-7H,1,3-4,13H2,(H,14,15)(H,16,17)/t5-,6-,7+,10-,11+/m1/s1
  • InChiKey: VQTMRCJHLJOJFW-DRGKHVIXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1R,2R,3R,5R,6R)-3-allyloxy-2-amino-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
  • (1R,2R,3R,5R,6R)-3-allyloxy-2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
  • (1R,2R,3R,5R,6R)-2-azanyl-6-fluoro-3-prop-2-enoxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
  • (1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-prop-2-enoxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Metabotropic glutamate receptor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Brugia malayi Metabotropic glutamate receptor precursor. Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum ko:K04606 glutamate receptor, metabotropic 3, putative Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum Metabotropic glutamate receptor precursor, putative Get druggable targets OG5_127095 All targets in OG5_127095
Loa Loa (eye worm) glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus granulosus metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative Get druggable targets OG5_127095 All targets in OG5_127095
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein Metabotropic glutamate receptor 2   872 aa 822 aa 21.2 %
Schistosoma mansoni metabotropic glutamate receptor Metabotropic glutamate receptor 2   872 aa 892 aa 26.9 %
Onchocerca volvulus Cell death abnormality protein 8 homolog Metabotropic glutamate receptor 2   872 aa 883 aa 43.3 %
Onchocerca volvulus Golgi-associated plant pathogenesis-related protein 1 homolog Metabotropic glutamate receptor 2   872 aa 884 aa 35.3 %
Onchocerca volvulus Metabotropic glutamate receptor 2   872 aa 774 aa 20.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica NAD synthetase, putative 0.008 0.0391 0.5
Schistosoma mansoni alpha-l-fucosidase 0.0761 0.5938 1
Brugia malayi Dihydrofolate reductase 0.0167 0.1104 0.1859
Echinococcus granulosus metabotropic glutamate receptor 5 0.0075 0.0352 0.0593
Echinococcus granulosus metabotropic glutamate receptor 2 0.0051 0.0156 0.0264
Plasmodium falciparum glutamine-dependent NAD(+) synthetase, putative 0.008 0.0391 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0069 0.0306 0.0515
Schistosoma mansoni glutamine-dependent NAD(+) synthetase 0.0048 0.0131 0.022
Echinococcus multilocularis dihydrofolate reductase 0.0167 0.1104 0.1859
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0167 0.1104 0.1104
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0075 0.0352 0.0593
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0167 0.1104 0.0742
Schistosoma mansoni metabotropic glutamate receptor 0.0051 0.0156 0.0264
Loa Loa (eye worm) alpha-L-fucosidase 0.0761 0.5938 1
Brugia malayi Alpha-L-fucosidase family protein 0.0761 0.5938 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0064 0.0261 0.6671
Trypanosoma brucei NAD+ synthase, putative 0.008 0.0391 1
Brugia malayi dihydrofolate reductase family protein 0.0167 0.1104 0.1859
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0064 0.0261 0.6671
Giardia lamblia NH3-dependent NAD+ synthetase 0.008 0.0391 0.5
Loa Loa (eye worm) glutamate receptor 0.0061 0.0237 0.04
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0761 0.5938 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0051 0.0156 0.0264
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0064 0.0261 0.6671
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0064 0.0261 0.6671
Treponema pallidum NAD synthetase 0.008 0.0391 0.5
Brugia malayi Metabotropic glutamate receptor precursor. 0.0061 0.0237 0.04
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0334 0.2459 1
Chlamydia trachomatis dihydrofolate reductase 0.0167 0.1104 0.5
Leishmania major NAD synthase, putative 0.008 0.0391 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0064 0.0261 0.6671
Mycobacterium ulcerans arylamine N-acetyltransferase Nat 0.1259 1 1
Trypanosoma cruzi NAD+ synthase, putative 0.008 0.0391 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0167 0.1104 1
Schistosoma mansoni glutamine-dependent NAD(+) synthetase 0.008 0.0391 0.0659
Mycobacterium ulcerans NAD synthetase 0.008 0.0391 0.0391
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0761 0.5938 1
Echinococcus granulosus dihydrofolate reductase 0.0167 0.1104 0.1859
Trypanosoma cruzi NAD+ synthase, putative 0.008 0.0391 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0334 0.2459 1
Loa Loa (eye worm) dihydrofolate reductase 0.0167 0.1104 0.1859
Mycobacterium ulcerans alpha-L-fucosidase 0.0761 0.5938 0.5938
Plasmodium vivax glutamine-dependent NAD(+) synthetase, putative 0.008 0.0391 1
Schistosoma mansoni dihydrofolate reductase 0.0167 0.1104 0.1859
Loa Loa (eye worm) hypothetical protein 0.0075 0.0352 0.0593
Toxoplasma gondii glutamine-dependent NAD(+) synthetase protein, putative 0.008 0.0391 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0055 0.019 0.0321

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 7.07 nM Binding affinity towards metabotropic glutamate receptor 2 of rat expressed in CHO cells was determined by using [3H]-MGS0008 ChEMBL. 15317467
Ki (binding) = 7.07 nM Binding affinity towards metabotropic glutamate receptor 2 of rat expressed in CHO cells was determined by using [3H]-MGS0008 ChEMBL. 15317467

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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