Detailed information for compound 1854238

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 292.375 | Formula: C19H20N2O
  • H donors: 1 H acceptors: 1 LogP: 3.89 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1ccc2c(c1=O)cccc2NCc1ccccc1
  • InChi: 1S/C19H20N2O/c1-2-12-21-13-11-16-17(19(21)22)9-6-10-18(16)20-14-15-7-4-3-5-8-15/h3-11,13,20H,2,12,14H2,1H3
  • InChiKey: QWCZFPBQYXMDHH-UHFFFAOYSA-N  

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 glutamate receptor, metabotropic 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus metabotropic glutamate receptor 5 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
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 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
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 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) glutamate receptor 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
Echinococcus multilocularis metabotropic glutamate receptor 2 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) hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Plasmodium vivax unspecified product 0.2691 1 1
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.1466 0.5397 0.4586
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586
Loa Loa (eye worm) casein kinase II 0.0428 0.1497 0.1396
Trichomonas vaginalis CMGC family protein kinase 0.2691 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586
Trypanosoma brucei Casein kinase II 0.2691 1 1
Schistosoma mansoni metabotropic glutamate receptor 0.0051 0.008 0.008
Echinococcus multilocularis casein kinase ii subunit alpha 0.2691 1 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0075 0.0171 0.0091
Loa Loa (eye worm) Csnk2b protein 0.1466 0.5397 0.5342
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586
Giardia lamblia Kinase, CMGC CK2 0.2691 1 1
Schistosoma mansoni protein kinase 0.2691 1 1
Onchocerca volvulus Casein kinase II subunit beta homolog 0.1466 0.5397 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0171 0.0054
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586
Trichomonas vaginalis CMGC family protein kinase 0.2691 1 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0061 0.0118 0.0118
Brugia malayi casein kinase II, putaitve 0.0428 0.1497 0.1497
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586
Trichomonas vaginalis CMGC family protein kinase 0.2691 1 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0055 0.0096 0.0096
Echinococcus granulosus casein kinase ii subunit alpha 0.2691 1 1
Entamoeba histolytica casein kinase, putative 0.2691 1 1
Entamoeba histolytica protein kinase domain containing protein 0.2691 1 1
Trichomonas vaginalis CMGC family protein kinase 0.2691 1 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0075 0.0171 0.0091
Trichomonas vaginalis CMGC family protein kinase 0.2691 1 1
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.2691 1 1
Trypanosoma cruzi casein kinase II, putative 0.2691 1 1
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.1466 0.5397 0.4586
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.2691 1 1
Schistosoma mansoni casein kinase II beta subunit 0.1466 0.5397 0.5397
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586
Trichomonas vaginalis CMGC family protein kinase 0.2691 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586
Leishmania major casein kinase II, putative 0.2691 1 1
Brugia malayi Csnk2b protein 0.1466 0.5397 0.5397
Echinococcus multilocularis casein kinase ii subunit beta 0.1466 0.5397 0.5359
Plasmodium falciparum casein kinase 2, alpha subunit 0.2691 1 1
Echinococcus granulosus casein kinase ii subunit beta 0.1466 0.5397 0.5359
Trichomonas vaginalis CMGC family protein kinase 0.2691 1 1
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.1466 0.5397 0.4586
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0069 0.0149 0.0149
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586
Onchocerca volvulus Casein kinase II subunit beta homolog 0.1466 0.5397 0.5
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586
Toxoplasma gondii CMGC kinase, CK2 family 0.2691 1 1
Giardia lamblia Casein kinase II beta chain 0.1466 0.5397 0.4586
Trichomonas vaginalis casein kinase II beta chain, putative 0.1466 0.5397 0.4586

Activities

Activity type Activity value Assay description Source Reference
Drug metabolism (ADMET) = 38 % Drug metabolism in human liver microsomes at 5 uM after 15 mins ChEMBL. No reference
EC50 (functional) = 5.7 Positive allosteric modulation of human mGluR2 expressed in CHO cells assessed as incorporation of [35S]GTPgammaS after 30 mins by scintillation counting analysis ChEMBL. No reference
Emax (functional) = 80 % Positive allosteric modulation of human mGluR2 expressed in CHO cells assessed as incorporation of [35S]GTPgammaS at 0.3 nM to 50 uM after 30 mins by scintillation counting analysis relative to control 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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