Detailed information for compound 824943

Basic information

Technical information
  • TDR Targets ID: 824943
  • Name: 8-(4-ethylbenzoyl)-6-[(4-methoxyphenyl)methyl ]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-o ne
  • MW: 455.502 | Formula: C28H25NO5
  • H donors: 0 H acceptors: 2 LogP: 5.23 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)C(=O)c1cn(Cc2ccc(cc2)OC)c2c(c1=O)cc1c(c2)OCCO1
  • InChi: 1S/C28H25NO5/c1-3-18-4-8-20(9-5-18)27(30)23-17-29(16-19-6-10-21(32-2)11-7-19)24-15-26-25(33-12-13-34-26)14-22(24)28(23)31/h4-11,14-15,17H,3,12-13,16H2,1-2H3
  • InChiKey: FLPBHCUTQOXIDC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-[(4-ethylphenyl)-oxomethyl]-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
  • 8-(4-ethylbenzoyl)-6-(4-methoxybenzyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
  • 8-(4-ethylphenyl)carbonyl-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-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 multilocularis neuropeptide FF receptor 2 0.0045 0 0.5
Schistosoma mansoni amine GPCR 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.5735 0.5735
Echinococcus granulosus tachykinin peptides receptor 99D 0.0045 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0045 0 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0045 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0045 0 0.5
Loa Loa (eye worm) hypothetical protein 0.017 1 1
Onchocerca volvulus 0.0045 0 0.5
Echinococcus granulosus allatostatin A receptor 0.0045 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0045 0 0.5
Echinococcus multilocularis allatostatin A receptor 0.0045 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0045 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0045 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0045 0 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0045 0 0.5
Schistosoma mansoni histamine h1 receptor 0.0045 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0045 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0045 0 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0045 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0045 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0045 0 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0045 0 0.5
Schistosoma mansoni amine GPCR 0.0045 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0045 0 0.5
Schistosoma mansoni hypothetical protein 0.0045 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0045 0 0.5
Echinococcus multilocularis serotonin receptor 0.0045 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0045 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0045 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0045 0 0.5
Schistosoma mansoni myosin xvIII 0.0045 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0045 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Loa Loa (eye worm) hypothetical protein 0.017 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0045 0 0.5
Toxoplasma gondii hypothetical protein 0.017 1 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0045 0 0.5
Schistosoma mansoni amine GPCR 0.0045 0 0.5
Echinococcus granulosus hypothetical protein 0.0045 0 0.5
Schistosoma mansoni amine GPCR 0.0045 0 0.5
Echinococcus granulosus g-protein coupled receptor 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0 0.5
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.017 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0045 0 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0045 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0045 0 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0045 0 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0045 0 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0045 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.5735 0.5735
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0045 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0045 0 0.5
Echinococcus granulosus fmrfamide receptor 0.0045 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0 0.5
Echinococcus granulosus sex peptide receptor 0.0045 0 0.5
Schistosoma mansoni adenoreceptor 0.0045 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0045 0 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Echinococcus multilocularis orexin receptor type 2 0.0045 0 0.5
Echinococcus granulosus serotonin receptor 0.0045 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0045 0 0.5
Echinococcus multilocularis serotonin receptor 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0045 0 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0045 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0045 0 0.5
Echinococcus multilocularis somatostatin receptor 0.0045 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0045 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0045 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0045 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0045 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0045 0 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0045 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0045 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0045 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0045 0 0.5
Schistosoma mansoni hypothetical protein 0.0045 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0045 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0045 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0045 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0045 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0045 0 0.5
Schistosoma mansoni opsin-like receptor 0.0045 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0045 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0045 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0045 0 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0045 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0045 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0045 0 0.5
Schistosoma mansoni hypothetical protein 0.0045 0 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0045 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0045 0 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0045 0 0.5
Schistosoma mansoni opsin-like receptor 0.0045 0 0.5
Schistosoma mansoni amine GPCR 0.0045 0 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0045 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0045 0 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Schistosoma mansoni opsin-like receptor 0.0045 0 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0045 0 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0045 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0045 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0045 0 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0045 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0045 0 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0045 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0045 0 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0045 0 0.5
Echinococcus granulosus somatostatin receptor 0.0045 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0045 0 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0045 0 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0045 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0045 0 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0045 0 0.5
Echinococcus granulosus neuropeptide s receptor 0.0045 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0045 0 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0045 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0045 0 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0045 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0045 0 0.5
Echinococcus granulosus orexin receptor type 2 0.0045 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0045 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0045 0 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0045 0 0.5
Echinococcus multilocularis sex peptide receptor 0.0045 0 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0045 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Schistosoma mansoni hypothetical protein 0.0045 0 0.5
Brugia malayi MH2 domain containing protein 0.0116 0.5735 1
Echinococcus multilocularis g protein coupled receptor 0.0045 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0045 0 0.5
Onchocerca volvulus 0.0045 0 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0045 0 0.5

Activities

No activities found for this compound.

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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