Detailed information for compound 147621

Basic information

Technical information
  • TDR Targets ID: 147621
  • Name: 1-ethyl-3-methyl-8-morpholin-4-yl-5H-imidazo[ 1,5-a]quinoxalin-4-one
  • MW: 312.366 | Formula: C17H20N4O2
  • H donors: 1 H acceptors: 3 LogP: 3.17 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc(c2n1c1cc(ccc1nc2O)N1CCOCC1)C
  • InChi: 1S/C17H20N4O2/c1-3-15-18-11(2)16-17(22)19-13-5-4-12(10-14(13)21(15)16)20-6-8-23-9-7-20/h4-5,10H,3,6-9H2,1-2H3,(H,19,22)
  • InChiKey: AXUAHHNAODQHNX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-ethyl-3-methyl-8-morpholino-5H-imidazo[1,5-a]quinoxalin-4-one
  • 1-ethyl-3-methyl-8-morpholin-4-yl-5H-imidazo[5,1-c]quinoxalin-4-one
  • 1-ethyl-3-methyl-8-morpholino-5H-imidazo[5,1-c]quinoxalin-4-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0161 0.0533 0.0533
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0161 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.0161 0.0533 0.0533
Schistosoma mansoni hypothetical protein 0.0278 0.1102 0.1195
Toxoplasma gondii beta tubulin 0.0051 0 0.5
Plasmodium falciparum tubulin beta chain 0.0051 0 0.5
Echinococcus granulosus tyrosine kinase 0.0161 0.0533 0.0533
Brugia malayi Receptor family ligand binding region containing protein 0.0161 0.0533 0.066
Loa Loa (eye worm) hypothetical protein 0.0278 0.1102 0.1102
Echinococcus multilocularis tyrosine kinase 0.0161 0.0533 0.0533
Echinococcus granulosus atrial natriuretic peptide receptor 0.0161 0.0533 0.0533
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0161 0.0533 0.0533
Trichomonas vaginalis tubulin alpha chain, putative 0.0051 0 0.5
Schistosoma mansoni protein kinase 0.0161 0.0533 0.0579
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.1945 0.9217 1
Schistosoma mansoni metabotropic glutamate receptor 0.0834 0.3809 0.4132
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0278 0.1102 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.1433 0.6725 0.6725
Brugia malayi metabotropic glutamate receptor type 2 0.0834 0.3809 0.4716
Trypanosoma brucei beta tubulin 0.0051 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0161 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.0161 0.0533 0.0533
Echinococcus granulosus glutamate receptor 2 0.0161 0.0533 0.0533
Echinococcus multilocularis metabotropic glutamate receptor 5 0.2106 1 1
Echinococcus multilocularis glutamate receptor 2 0.0161 0.0533 0.0533
Trypanosoma brucei beta tubulin 0.0051 0 0.5
Leishmania major extracellular receptor, putative 0.0161 0.0533 1
Loa Loa (eye worm) glutamate receptor 0.0673 0.3026 0.3026
Echinococcus multilocularis glutamate receptor 2 0.0161 0.0533 0.0533
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0161 0.0533 0.0533
Brugia malayi Guanylyl cyclase protein 23 0.0161 0.0533 0.066
Schistosoma mansoni metabotropic glutamate receptor 0.1433 0.6725 0.7296
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0278 0.1102 0.1364
Loa Loa (eye worm) hypothetical protein 0.0161 0.0533 0.0533
Giardia lamblia Beta tubulin 0.0051 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0161 0.0533 0.0533
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0161 0.0533 0.0533
Trichomonas vaginalis tubulin epsilon chain, putative 0.0051 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0161 0.0533 0.0533
Brugia malayi Receptor family ligand binding region containing protein 0.0439 0.1885 0.2334
Trichomonas vaginalis tubulin gamma chain, putative 0.0051 0 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0161 0.0533 0.0533
Schistosoma mansoni tyrosine kinase 0.0161 0.0533 0.0579
Schistosoma mansoni tyrosine kinase 0.0161 0.0533 0.0579
Trichomonas vaginalis tubulin beta chain, putative 0.0051 0 0.5
Entamoeba histolytica hypothetical protein 0.0161 0.0533 1
Echinococcus multilocularis receptor type guanylyl cyclase 0.0161 0.0533 0.0533
Toxoplasma gondii beta-1 tubulin, putative 0.0051 0 0.5
Loa Loa (eye worm) RGC/RGC protein kinase 0.0161 0.0533 0.0533
Loa Loa (eye worm) RGC/RGC protein kinase 0.0161 0.0533 0.0533
Trichomonas vaginalis tubulin epsilon chain, putative 0.0051 0 0.5
Echinococcus granulosus receptor type guanylyl cyclase 0.0161 0.0533 0.0533
Giardia lamblia Beta tubulin 0.0051 0 0.5
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0439 0.1885 0.1885
Trypanosoma brucei beta tubulin 0.0051 0 0.5
Loa Loa (eye worm) glutamate receptor 0.1711 0.8076 0.8076
Loa Loa (eye worm) hypothetical protein 0.0439 0.1885 0.1885
Plasmodium vivax tubulin beta chain, putative 0.0051 0 0.5
Echinococcus multilocularis GPCR, family 3, C terminal 0.0278 0.1102 0.1102
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0161 0.0533 0.0533
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0161 0.0533 0.066
Echinococcus granulosus glutamate receptor 2 0.0161 0.0533 0.0533
Giardia lamblia Beta tubulin 0.0051 0 0.5
Echinococcus granulosus GPCR family 3 C terminal 0.0278 0.1102 0.1102
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.155 0.7293 0.9031
Echinococcus granulosus nmda type glutamate receptor 0.0161 0.0533 0.0533
Toxoplasma gondii beta-tubulin, putative 0.0051 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0161 0.0533 0.0533
Brugia malayi Metabotropic glutamate receptor precursor. 0.1711 0.8076 1
Loa Loa (eye worm) RGC/RGC protein kinase 0.0161 0.0533 0.0533
Trichomonas vaginalis tubulin, putative 0.0051 0 0.5
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0161 0.0533 0.0533
Loa Loa (eye worm) hypothetical protein 0.2106 1 1
Onchocerca volvulus Poor gastrulation protein homolog 0.0278 0.1102 1
Schistosoma mansoni glutamate receptor NMDA 0.0161 0.0533 0.0579
Echinococcus multilocularis nmda type glutamate receptor 0.0161 0.0533 0.0533
Echinococcus multilocularis metabotropic glutamate receptor 2 0.1433 0.6725 0.6725
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0161 0.0533 0.0533
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0439 0.1885 0.1885
Brugia malayi hypothetical protein 0.0161 0.0533 0.066
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0161 0.0533 0.0533
Trypanosoma brucei beta tubulin 0.0051 0 0.5
Trypanosoma cruzi extracellular receptor, putative 0.0161 0.0533 1

Activities

Activity type Activity value Assay description Source Reference
CFC20 (functional) = 0.5 uM In vitro increase in contractile force in ferret papillary muscle strips. ChEMBL. 1654425
EC50 (functional) = 0.05 uM In vitro vascular relaxation in canine mesenteric veins precontracted with phenylephrine. ChEMBL. 1654425
EC50 (functional) = 0.7 uM In vitro vascular relaxation in canine coronary arteries precontracted with prostaglandin F2alpha. ChEMBL. 1654425
IC50 (binding) = 0.8 uM Inhibition of crude cAMP phosphodiesterase from canine cardiac aorta ChEMBL. 1654425
IC50 (binding) = 0.9 uM Inhibition of crude cGMP phosphodiesterase from canine thoracic aorta ChEMBL. 1654425

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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