Detailed information for compound 1735494

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.416 | Formula: C20H23N3O2
  • H donors: 2 H acceptors: 3 LogP: 3.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccn1
  • InChi: 1S/C20H23N3O2/c1-14-6-4-7-15(12-14)19(24)22-16-8-5-9-17(13-16)23-20(25)18-10-2-3-11-21-18/h2-4,6-7,10-12,16-17H,5,8-9,13H2,1H3,(H,22,24)(H,23,25)/t16-,17-/m0/s1
  • InChiKey: CZWZEVDFUOOIGH-IRXDYDNUSA-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 5 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
Loa Loa (eye worm) glutamate receptor 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
Echinococcus multilocularis metabotropic glutamate receptor 5 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 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
Echinococcus multilocularis 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
Brugia malayi Metabotropic glutamate receptor precursor. 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 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

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
Brugia malayi Animal haem peroxidase family protein 0.081 0.3229 1
Echinococcus multilocularis peroxidasin 0.081 0.3229 0.3229
Loa Loa (eye worm) animal heme peroxidase 0.081 0.3229 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.2421 1 1
Onchocerca volvulus 0.081 0.3229 1
Schistosoma mansoni rab6-interacting 0.0405 0.1528 0.1528
Loa Loa (eye worm) hypothetical protein 0.006 0.0081 0.0149
Schistosoma mansoni lipoxygenase 0.2421 1 1
Loa Loa (eye worm) hypothetical protein 0.0405 0.1528 0.4679
Echinococcus multilocularis lipoxygenase domain containing protein 0.0405 0.1528 0.1528
Loa Loa (eye worm) animal heme peroxidase 0.081 0.3229 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.006 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.081 0.3229 1
Brugia malayi Peroxidasin 0.081 0.3229 1
Loa Loa (eye worm) animal heme peroxidase 0.081 0.3229 1
Onchocerca volvulus 0.081 0.3229 1
Loa Loa (eye worm) hypothetical protein 0.081 0.3229 1
Loa Loa (eye worm) blistered cuticle protein 3 0.081 0.3229 1
Onchocerca volvulus Peroxidase homolog 0.081 0.3229 1
Brugia malayi Animal haem peroxidase family protein 0.081 0.3229 1
Onchocerca volvulus Chorion peroxidase homolog 0.081 0.3229 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0405 0.1528 0.1528
Echinococcus granulosus RUN 0.0405 0.1528 0.1528
Echinococcus granulosus peroxidasin 0.081 0.3229 0.3229
Schistosoma mansoni peroxidasin 0.081 0.3229 0.3229
Onchocerca volvulus 0.081 0.3229 1
Onchocerca volvulus Peroxidasin homolog 0.081 0.3229 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0405 0.1528 0.1528
Loa Loa (eye worm) hypothetical protein 0.081 0.3229 1
Loa Loa (eye worm) hypothetical protein 0.081 0.3229 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0405 0.1528 0.1528
Onchocerca volvulus Dual oxidase homolog 0.081 0.3229 1
Loa Loa (eye worm) doublecortin family protein 0.0405 0.1528 0.4679
Loa Loa (eye worm) hypothetical protein 0.081 0.3229 1
Schistosoma mansoni loxhd1 0.0405 0.1528 0.1528
Brugia malayi Metabotropic glutamate receptor precursor. 0.0049 0.0033 0.006
Schistosoma mansoni peroxidasin 0.081 0.3229 0.3229
Onchocerca volvulus Peroxidasin homolog 0.081 0.3229 1
Brugia malayi Animal haem peroxidase family protein 0.081 0.3229 1
Plasmodium falciparum LCCL domain-containing protein 0.0405 0.1528 0.5
Onchocerca volvulus Peroxidase homolog 0.081 0.3229 1
Loa Loa (eye worm) hypothetical protein 0.081 0.3229 1
Brugia malayi Animal haem peroxidase family protein 0.081 0.3229 1
Schistosoma mansoni lipoxygenase 0.1693 0.6939 0.6939
Loa Loa (eye worm) hypothetical protein 0.0405 0.1528 0.4679
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0056 0.0061 0.0061
Echinococcus multilocularis Polycystic kidney disease protein 0.0405 0.1528 0.1528
Loa Loa (eye worm) hypothetical protein 0.081 0.3229 1
Loa Loa (eye worm) animal heme peroxidase 0.081 0.3229 1
Loa Loa (eye worm) hypothetical protein 0.081 0.3229 1
Schistosoma mansoni rab6-interacting 0.0405 0.1528 0.1528
Brugia malayi Blistered cuticle protein 3 0.081 0.3229 1
Brugia malayi hypothetical protein 0.081 0.3229 1
Schistosoma mansoni hypothetical protein 0.0405 0.1528 0.1528
Schistosoma mansoni polycystin 1-related 0.0405 0.1528 0.1528
Echinococcus granulosus metabotropic glutamate receptor 5 0.006 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.081 0.3229 1
Brugia malayi hypothetical protein 0.0405 0.1528 0.4711
Loa Loa (eye worm) hypothetical protein 0.081 0.3229 1
Loa Loa (eye worm) hypothetical protein 0.081 0.3229 1
Loa Loa (eye worm) hypothetical protein 0.081 0.3229 1
Echinococcus granulosus Polycystic kidney disease protein 0.0405 0.1528 0.1528
Brugia malayi Animal haem peroxidase family protein 0.081 0.3229 1
Loa Loa (eye worm) hypothetical protein 0.081 0.3229 1
Loa Loa (eye worm) hypothetical protein 0.081 0.3229 1
Brugia malayi Doublecortin family protein 0.0405 0.1528 0.4711
Plasmodium vivax multidomain scavenger receptor, putative 0.0405 0.1528 0.5
Echinococcus multilocularis RUN 0.0405 0.1528 0.1528
Brugia malayi hypothetical protein 0.0405 0.1528 0.4711

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1000 nM Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assay ChEMBL. 23357634

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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