Detailed information for compound 1491133

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 463.91 | Formula: C26H22ClNO5
  • H donors: 1 H acceptors: 3 LogP: 5.84 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc(ccc1Cl)c1cccc(c1)COc1ccc2c(c1)on(c2=O)C1CCCC1
  • InChi: 1S/C26H22ClNO5/c27-23-11-8-18(13-22(23)26(30)31)17-5-3-4-16(12-17)15-32-20-9-10-21-24(14-20)33-28(25(21)29)19-6-1-2-7-19/h3-5,8-14,19H,1-2,6-7,15H2,(H,30,31)
  • InChiKey: RGJRUFROGILIAI-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
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
Schistosoma japonicum Metabotropic glutamate receptor precursor, putative 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
Echinococcus granulosus 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
Echinococcus multilocularis metabotropic glutamate receptor 2 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 ko:K04606 glutamate receptor, metabotropic 3, putative 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
Echinococcus granulosus metabotropic glutamate receptor 2 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
Schistosoma japonicum hypothetical protein 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 precursor. 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 %
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 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0268 0.919 0.9172
Echinococcus granulosus metabotropic glutamate receptor 5 0.0075 0.1927 0.2572
Echinococcus multilocularis tar DNA binding protein 0.0067 0.1622 0.2074
Loa Loa (eye worm) hypothetical protein 0.0072 0.1814 0.1814
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.3072 0.2919
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0196 0.6471 1
Loa Loa (eye worm) glutaminase 0.029 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.0354 0.014
Loa Loa (eye worm) hypothetical protein 0.0268 0.919 0.919
Schistosoma mansoni hypothetical protein 0.0072 0.1814 0.1633
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.1814 0.1633
Loa Loa (eye worm) TAR-binding protein 0.0067 0.1622 0.1622
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.053 0.0321
Brugia malayi photoreceptor-specific nuclear receptor 0.0261 0.8915 0.8891
Schistosoma mansoni metabotropic glutamate receptor 0.0051 0.1022 0.0824
Entamoeba histolytica hypothetical protein 0.0038 0.053 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0354 0.014
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1622 0.1437
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0069 0.1711 0.1527
Schistosoma mansoni hypothetical protein 0.0038 0.053 0.0321
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.053 0.0289
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.053 0.0289
Brugia malayi Metabotropic glutamate receptor precursor. 0.0061 0.1395 0.1205
Schistosoma mansoni hypothetical protein 0.0033 0.0354 0.014
Loa Loa (eye worm) glutaminase 2 0.029 1 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0075 0.1927 0.2572
Loa Loa (eye worm) glutamate receptor 0.0061 0.1395 0.1395
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1622 0.1437
Entamoeba histolytica hypothetical protein 0.0038 0.053 0.5
Brugia malayi RNA binding protein 0.0067 0.1622 0.1437
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1622 0.1437
Mycobacterium ulcerans glutaminase 0.029 1 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0354 0.0354
Entamoeba histolytica hypothetical protein 0.0038 0.053 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.1622 0.1622
Echinococcus granulosus tar DNA binding protein 0.0067 0.1622 0.2074
Schistosoma mansoni glutaminase 0.029 1 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0354 0.014
Brugia malayi TAR-binding protein 0.0067 0.1622 0.1437
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0055 0.1179 0.0984
Loa Loa (eye worm) RNA binding protein 0.0067 0.1622 0.1622
Loa Loa (eye worm) hypothetical protein 0.0261 0.8915 0.8915
Schistosoma mansoni hypothetical protein 0.0033 0.0354 0.014
Brugia malayi hypothetical protein 0.0038 0.053 0.0321
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0051 0.1022 0.1093
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0196 0.6471 1
Trichomonas vaginalis glutaminase, putative 0.029 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.1927 0.1927
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0354 0.014
Echinococcus granulosus metabotropic glutamate receptor 2 0.0051 0.1022 0.1093
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.1622 0.1437
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.3072 0.3072
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1622 0.1437
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1622 0.1437
Loa Loa (eye worm) hypothetical protein 0.0033 0.0354 0.0354
Entamoeba histolytica hypothetical protein 0.0038 0.053 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 0.31 uM Positive allosteric modulation of rat mGluR2 expressed in HEK-293 cells assessed as thallium flux through GIRK channels ChEMBL. 21155570
Emax (binding) = 64 % Positive allosteric modulation of rat mGluR2 expressed in HEK-293 cells assessed as thallium flux through GIRK channels relative to glutamate ChEMBL. 21155570

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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