Detailed information for compound 344302

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 214.175 | Formula: C8H10N2O5
  • H donors: 3 H acceptors: 4 LogP: -3.42 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1=NO[C@H]2[C@@H]1C[C@](C2)(N)C(=O)O
  • InChi: 1S/C8H10N2O5/c9-8(7(13)14)1-3-4(2-8)15-10-5(3)6(11)12/h3-4H,1-2,9H2,(H,11,12)(H,13,14)/t3-,4+,8+/m0/s1
  • InChiKey: NTVFQKSMRLANLZ-JJXKXHSHSA-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
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
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 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
Schistosoma japonicum hypothetical protein 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
Echinococcus multilocularis metabotropic glutamate receptor 5 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
Loa Loa (eye worm) hypothetical protein 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
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
Echinococcus granulosus metabotropic glutamate receptor 5 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Cell death abnormality protein 8 homolog Metabotropic glutamate receptor 2   872 aa 883 aa 43.3 %
Schistosoma mansoni metabotropic glutamate receptor Metabotropic glutamate receptor 2   872 aa 892 aa 26.9 %
Loa Loa (eye worm) hypothetical protein Metabotropic glutamate receptor 2   872 aa 822 aa 21.2 %
Onchocerca volvulus Metabotropic glutamate receptor 2   872 aa 774 aa 20.4 %
Onchocerca volvulus Golgi-associated plant pathogenesis-related protein 1 homolog Metabotropic glutamate receptor 2   872 aa 884 aa 35.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0203 0.3123 1
Onchocerca volvulus 0.0203 0.3123 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.1166 0.2195
Echinococcus granulosus Nuclear hormone receptor HR96 0.0096 0.1166 0.3732
Loa Loa (eye worm) hypothetical protein 0.0107 0.1375 0.3031
Loa Loa (eye worm) hypothetical protein 0.0203 0.3123 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.1166 0.2195
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0203 0.3123 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0873 0.1026
Loa Loa (eye worm) hypothetical protein 0.0096 0.1166 0.2195
Echinococcus multilocularis metabotropic glutamate receptor 5 0.008 0.0873 0.2794
Schistosoma mansoni nuclear hormone receptor 0.0203 0.3123 0.3827
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0203 0.3123 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.1166 0.2195
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0203 0.3123 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0203 0.3123 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0203 0.3123 1
Brugia malayi nuclear receptor NHR-88 0.0096 0.1166 0.3642
Brugia malayi Steroid receptor seven-up type 2 0.0203 0.3123 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0203 0.3123 1
Brugia malayi ecdysone receptor 0.0096 0.1166 0.3642
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0107 0.1375 0.1654
Loa Loa (eye worm) hypothetical protein 0.0096 0.1166 0.2195
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0203 0.3123 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0203 0.3123 1
Echinococcus granulosus ecdysone induced protein 78C 0.0203 0.3123 1
Loa Loa (eye worm) DR-78 0.0096 0.1166 0.2195
Loa Loa (eye worm) steroid hormone receptor 0.0203 0.3123 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0203 0.3123 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0203 0.3123 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0203 0.3123 0.3827
Loa Loa (eye worm) hypothetical protein 0.0203 0.3123 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0203 0.3123 0.3827
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0203 0.3123 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0203 0.3123 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0066 0.0615 0.1854
Loa Loa (eye worm) hypothetical protein 0.0107 0.1375 0.3031
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0107 0.1375 0.4403
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0203 0.3123 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1375 0.3031
Brugia malayi nuclear hormone receptor family member odr-7 0.0096 0.1166 0.3642
Brugia malayi steroid hormone receptor 0.0203 0.3123 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0203 0.3123 1
Brugia malayi hypothetical protein 0.0096 0.1166 0.3642
Schistosoma mansoni nuclear hormone receptor 0.0096 0.1166 0.1394
Echinococcus granulosus thyroid hormone receptor alpha 0.0096 0.1166 0.3732
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0203 0.3123 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1375 0.3031
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0203 0.3123 0.3827
Brugia malayi nuclear receptor NHR-67 0.0096 0.1166 0.3642
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0096 0.1166 0.3732
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0096 0.1166 0.3732
Brugia malayi tailless protein 0.0096 0.1166 0.3642
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0203 0.3123 0.3827
Brugia malayi orphan nuclear receptor NR2E1 0.0096 0.1166 0.3642
Schistosoma mansoni thyroid hormone receptor 0.0203 0.3123 0.3827
Loa Loa (eye worm) hypothetical protein 0.0096 0.1166 0.2195
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0203 0.3123 1
Brugia malayi hypothetical protein 0.0107 0.1375 0.4323
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0203 0.3123 1
Brugia malayi nuclear receptor NHR-88 0.0203 0.3123 1
Schistosoma mansoni nuclear receptor nhr-48 0.0096 0.1166 0.1394
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0203 0.3123 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0476 0.8091 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0203 0.3123 1
Schistosoma mansoni nuclear receptor 0.0096 0.1166 0.1394
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0096 0.1166 0.3642
Onchocerca volvulus Bile acid receptor homolog 0.0203 0.3123 1
Schistosoma mansoni nuclear hormone receptor 0.0096 0.1166 0.1394
Loa Loa (eye worm) hypothetical protein 0.0096 0.1166 0.2195
Brugia malayi nuclear hormone receptor 0.0203 0.3123 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0056 0.0434 0.1391
Loa Loa (eye worm) hypothetical protein 0.0096 0.1166 0.2195
Loa Loa (eye worm) nuclear receptor NHR-67 0.0096 0.1166 0.2195
Schistosoma mansoni RAR-like nuclear receptor 0.0203 0.3123 0.3827
Loa Loa (eye worm) hypothetical protein 0.0096 0.1166 0.2195
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0203 0.3123 1
Brugia malayi nuclear receptor RXR 0.0107 0.1375 0.4323
Brugia malayi nuclear receptor RXR 0.0096 0.1166 0.3642
Echinococcus granulosus Nuclear hormone receptor HR96 0.0096 0.1166 0.3732
Schistosoma mansoni steroid hormone receptor ad4bp 0.0203 0.3123 0.3827
Brugia malayi ecdysteroid receptor 0.0203 0.3123 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0096 0.1166 0.3732
Schistosoma mansoni retinoic acid receptor RXR 0.0203 0.3123 0.3827
Brugia malayi Nuclear hormone receptor-like 1 0.0107 0.1375 0.4323
Schistosoma mansoni metabotropic glutamate receptor 0.0056 0.0434 0.0485
Echinococcus granulosus metabotropic glutamate receptor 5 0.008 0.0873 0.2794
Loa Loa (eye worm) nuclear hormone receptor 0.0096 0.1166 0.2195
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0203 0.3123 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.3123 1
Brugia malayi conserved hypotetical protein 0.0096 0.1166 0.3642
Echinococcus granulosus FTZ F1 alpha 0.0203 0.3123 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0203 0.3123 0.3827
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0203 0.3123 1
Brugia malayi Nuclear hormone receptor E75 0.0096 0.1166 0.3642
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0203 0.3123 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.3123 1
Brugia malayi Nuclear hormone receptor-like 1 0.0107 0.1375 0.4323
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0203 0.3123 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.1166 0.2195
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0203 0.3123 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.1166 0.2195
Schistosoma mansoni nuclear receptor 0.0096 0.1166 0.1394
Loa Loa (eye worm) hypothetical protein 0.0203 0.3123 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0203 0.3123 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0107 0.1375 0.3031
Schistosoma mansoni coup transcription factor 0.0203 0.3123 0.3827
Loa Loa (eye worm) hypothetical protein 0.0203 0.3123 1
Brugia malayi Nuclear hormone receptor E75 0.0096 0.1166 0.3642
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0096 0.1166 0.1394
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0055 0.0427 0.1242
Echinococcus granulosus metabotropic glutamate receptor 2 0.0056 0.0434 0.1391
Brugia malayi nuclear hormone receptor family member nhr-6 0.0096 0.1166 0.3642
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0203 0.3123 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0203 0.3123 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0203 0.3123 1
Schistosoma mansoni thyroid hormone receptor 0.0203 0.3123 0.3827
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0203 0.3123 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.3123 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0096 0.1166 0.3732
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0203 0.3123 0.3827
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0096 0.1166 0.3732
Echinococcus multilocularis FTZ F1 alpha 0.0203 0.3123 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0203 0.3123 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0096 0.1166 0.2195
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0203 0.3123 1
Brugia malayi nuclear hormone receptor 0.0096 0.1166 0.3642
Loa Loa (eye worm) hypothetical protein 0.0096 0.1166 0.2195
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0096 0.1166 0.3732
Loa Loa (eye worm) hypothetical protein 0.0096 0.1166 0.2195
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0107 0.1375 0.1654
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0096 0.1166 0.3732
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0203 0.3123 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0203 0.3123 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0069 0.0684 0.0795
Brugia malayi hypothetical protein 0.0096 0.1166 0.3642
Schistosoma mansoni zinc finger protein 0.0096 0.1166 0.1394
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0203 0.3123 1
Brugia malayi Nuclear hormone receptor-like 1 0.0203 0.3123 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.3123 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0096 0.1166 0.3732
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0203 0.3123 1
Echinococcus granulosus nuclear receptor nhr 48 0.0096 0.1166 0.3732
Loa Loa (eye worm) hypothetical protein 0.0107 0.1375 0.3031
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0107 0.1375 0.4403
Brugia malayi hypothetical protein 0.0107 0.1375 0.4323
Mycobacterium ulcerans short chain dehydrogenase 0.0581 1 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0203 0.3123 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) 9.1 uM Effective concentration against mGluR2 receptor expressed in CHO cells ChEMBL. 16190758
EC50 (binding) 9.1 uM Effective concentration against mGluR2 receptor expressed in CHO cells ChEMBL. 16190758
EC50 (binding) > 1000 uM Effective concentration against mGluR4 receptor expressed in CHO cells ChEMBL. 16190758
EC50 (binding) > 1000 uM Effective concentration against mGluR4 receptor expressed in CHO cells ChEMBL. 16190758
Ki (binding) uM Binding affinity for mGluR2 receptor expressed in CHO cells; weak ChEMBL. 16190758
Ki (binding) 0 uM Binding affinity for mGluR2 receptor expressed in CHO cells; weak ChEMBL. 16190758
Ki (binding) = 33 uM Binding affinity for mGluR1 receptor expressed in CHO cells ChEMBL. 16190758
Ki (binding) = 33 uM Binding affinity for mGluR1 receptor expressed in CHO cells ChEMBL. 16190758
Ki (binding) > 1000 uM Binding affinity for mGluR4 receptor expressed in CHO cells ChEMBL. 16190758
Ki (binding) > 1000 uM Binding affinity for mGluR4 receptor expressed in CHO cells ChEMBL. 16190758

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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