Detailed information for compound 147463

Basic information

Technical information
  • TDR Targets ID: 147463
  • Name: 7-chloro-4-(2-dimethylaminoethyloxy)-3-phenyl -1H-quinolin-2-one
  • MW: 342.819 | Formula: C19H19ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 4.43 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCOc1c(c2ccccc2)c(O)nc2c1ccc(c2)Cl)C
  • InChi: 1S/C19H19ClN2O2/c1-22(2)10-11-24-18-15-9-8-14(20)12-16(15)21-19(23)17(18)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,21,23)
  • InChiKey: WXSXQPDLPVPCFD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-chloro-4-(2-dimethylaminoethyloxy)-3-phenyl-carbostyril
  • 7-chloro-4-(2-dimethylaminoethoxy)-3-phenyl-1H-quinolin-2-one
  • 7-chloro-4-(2-dimethylaminoethoxy)-3-phenyl-carbostyril

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum expressed protein Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma mansoni glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis glutamate (NMDA) receptor subunit Glutamate (NMDA) receptor subunit zeta 1   938 aa 822 aa 23.2 %
Drosophila melanogaster NMDA receptor 2 Glutamate (NMDA) receptor subunit zeta 1   938 aa 878 aa 27.4 %
Drosophila melanogaster Glutamate receptor IA Glutamate (NMDA) receptor subunit zeta 1   938 aa 979 aa 23.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0074 0.2675 0.2617
Schistosoma mansoni metabotropic glutamate receptor 0.013 0.6249 0.6917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1367 0.1043
Echinococcus granulosus tar DNA binding protein 0.0074 0.2675 0.1515
Echinococcus granulosus nmda type glutamate receptor 0.0114 0.5213 0.4455
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1367 0.1043
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1672 0.1606
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1672 0.1234
Schistosoma mansoni tar DNA-binding protein 0.0074 0.2675 0.2617
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.1367 0.1188
Brugia malayi RNA binding protein 0.0074 0.2675 0.2981
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0189 1 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0136 0.6607 0.837
Brugia malayi TAR-binding protein 0.0074 0.2675 0.2981
Echinococcus granulosus nmda type glutamate receptor 0.0127 0.6056 0.5431
Brugia malayi metabotropic glutamate receptor type 2 0.0078 0.2908 0.3301
Echinococcus multilocularis nmda type glutamate receptor 0.0114 0.5213 0.5213
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.2675 0.2289
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1672 0.1606
Schistosoma mansoni metabotropic glutamate receptor 0.0078 0.2908 0.2898
Loa Loa (eye worm) hypothetical protein 0.0043 0.0705 0.0215
Echinococcus multilocularis tar DNA binding protein 0.0074 0.2675 0.2675
Schistosoma mansoni tar DNA-binding protein 0.0074 0.2675 0.2617
Loa Loa (eye worm) glutamate receptor 0.0155 0.7796 0.768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1367 0.1043
Echinococcus granulosus glutamate receptor NMDA 0.0095 0.4024 0.3077
Echinococcus granulosus metabotropic glutamate receptor 2 0.013 0.6249 0.5655
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.1367 0.0912
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.2675 0.2981
Brugia malayi Metabotropic glutamate receptor precursor. 0.0155 0.7796 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1367 0.1367
Loa Loa (eye worm) glutamate receptor 0.0059 0.1719 0.1283
Loa Loa (eye worm) RNA binding protein 0.0074 0.2675 0.2289
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0171 0.8811 1
Schistosoma mansoni tar DNA-binding protein 0.0074 0.2675 0.2617
Schistosoma mansoni tar DNA-binding protein 0.0074 0.2675 0.2617
Loa Loa (eye worm) TAR-binding protein 0.0074 0.2675 0.2289
Echinococcus multilocularis nmda type glutamate receptor 0.0127 0.6056 0.6056
Schistosoma mansoni glutamate receptor NMDA 0.0123 0.5783 0.6356
Loa Loa (eye worm) hypothetical protein 0.0189 1 1
Brugia malayi Receptor family ligand binding region containing protein 0.0043 0.0705 0.028
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0043 0.0705 0.0215
Loa Loa (eye worm) hypothetical protein 0.0058 0.1672 0.1234
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0043 0.0705 0.0215
Echinococcus multilocularis glutamate receptor NMDA 0.0095 0.4024 0.4024
Echinococcus multilocularis metabotropic glutamate receptor 2 0.013 0.6249 0.6249
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1367 0.1367

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 11 uM In vitro ability to displace [3H]L-689,560 binding to glycine site on the N-methyl-D-aspartate (NMDA) glutamate receptor 1 from rat cortical membranes ChEMBL. 9057862
IC50 (binding) = 11 uM In vitro ability to displace [3H]L-689,560 binding to glycine site on the N-methyl-D-aspartate (NMDA) glutamate receptor 1 from rat cortical membranes ChEMBL. 9057862
Inhibition (binding) < 50 % Inhibitory activity at GnRH receptor in rat pituitary membranes. ChEMBL. 10498220
Inhibition (binding) < 50 % Inhibitory activity at GnRH receptor in rat pituitary membranes. ChEMBL. 10498220

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

2 literature references were collected for this gene.

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