Detailed information for compound 281256

Basic information

Technical information
  • TDR Targets ID: 281256
  • Name: N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)m ethanesulfonamide
  • MW: 348.804 | Formula: C16H13ClN2O3S
  • H donors: 2 H acceptors: 4 LogP: 3.39 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)nc(c(c2NS(=O)(=O)C)c1ccccc1)O
  • InChi: 1S/C16H13ClN2O3S/c1-23(21,22)19-15-12-8-7-11(17)9-13(12)18-16(20)14(15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,19,20)
  • InChiKey: SYHUWOLKUIXQKV-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(7-chloro-2-keto-3-phenyl-1H-quinolin-4-yl)methanesulfonamide

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
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
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative 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
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
Echinococcus granulosus 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
Echinococcus multilocularis nmda type glutamate receptor 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 glutamate receptor NMDA 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
Drosophila melanogaster Glutamate receptor IA Glutamate (NMDA) receptor subunit zeta 1   938 aa 979 aa 23.7 %
Drosophila melanogaster NMDA receptor 2 Glutamate (NMDA) receptor subunit zeta 1   938 aa 878 aa 27.4 %
Echinococcus multilocularis glutamate (NMDA) receptor subunit Glutamate (NMDA) receptor subunit zeta 1   938 aa 822 aa 23.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni thyroid hormone receptor 0.0063 0.3228 0.3908
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0063 0.3228 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0063 0.3228 0.3228
Schistosoma mansoni thyroid hormone receptor 0.0063 0.3228 0.3908
Loa Loa (eye worm) hypothetical protein 0.0063 0.3228 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3228 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0063 0.3228 0.3228
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0063 0.3228 0.3228
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0063 0.3228 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0063 0.3228 0.3908
Brugia malayi Steroid receptor seven-up type 2 0.0063 0.3228 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0063 0.3228 0.3144
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0063 0.3228 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0063 0.3228 1
Brugia malayi nuclear receptor NHR-88 0.0063 0.3228 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0063 0.3228 0.3144
Brugia malayi nuclear hormone receptor 0.0063 0.3228 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0063 0.3228 1
Onchocerca volvulus 0.0063 0.3228 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.3228 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0063 0.3228 0.3144
Loa Loa (eye worm) hypothetical protein 0.0063 0.3228 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0063 0.3228 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0063 0.3228 0.3908
Brugia malayi steroid hormone receptor 0.0063 0.3228 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0063 0.3228 0.3908
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0063 0.3228 0.3908
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0063 0.3228 0.3144
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0063 0.3228 0.3908
Echinococcus granulosus ecdysone induced protein 78C 0.0063 0.3228 0.3144
Loa Loa (eye worm) hypothetical protein 0.0063 0.3228 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0063 0.3228 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0063 0.3228 0.3908
Echinococcus multilocularis FTZ F1 alpha 0.0063 0.3228 0.3228
Schistosoma mansoni retinoic acid receptor RXR 0.0063 0.3228 0.3908
Loa Loa (eye worm) hypothetical protein 0.0063 0.3228 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0063 0.3228 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0063 0.3228 1
Onchocerca volvulus Bile acid receptor homolog 0.0063 0.3228 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0033 0.0122 0.0122
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0063 0.3228 0.3228
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0063 0.3228 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0063 0.3228 0.3228
Brugia malayi ecdysteroid receptor 0.0063 0.3228 1
Echinococcus granulosus glutamate receptor NMDA 0.0095 0.6645 0.6603
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0063 0.3228 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0063 0.3228 0.3228
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0063 0.3228 1
Brugia malayi Nuclear hormone receptor-like 1 0.0063 0.3228 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0063 0.3228 1
Echinococcus granulosus FTZ F1 alpha 0.0063 0.3228 0.3144
Schistosoma mansoni coup transcription factor 0.0063 0.3228 0.3908
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0063 0.3228 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0063 0.3228 0.3908
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0063 0.3228 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0063 0.3228 0.3144
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0063 0.3228 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0063 0.3228 0.3908
Echinococcus multilocularis glutamate receptor NMDA 0.0095 0.6645 0.6645
Loa Loa (eye worm) steroid hormone receptor 0.0063 0.3228 1
Echinococcus granulosus nmda type glutamate receptor 0.01 0.7127 0.7092
Echinococcus multilocularis nmda type glutamate receptor 0.01 0.7127 0.7127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0063 0.3228 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0063 0.3228 0.3144
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0063 0.3228 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3228 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0063 0.3228 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0063 0.3228 0.3228
Echinococcus multilocularis ecdysone induced protein 78C 0.0063 0.3228 0.3228
Loa Loa (eye worm) hypothetical protein 0.0063 0.3228 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0063 0.3228 0.3144
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0063 0.3228 1
Schistosoma mansoni glutamate receptor NMDA 0.0109 0.8069 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0063 0.3228 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0063 0.3228 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0127 1 1
Schistosoma mansoni nuclear hormone receptor 0.0063 0.3228 0.3908
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0063 0.3228 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.27 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) = 0.27 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
Kb (functional) = 2.2 uM Evaluated to antagonize NMDA responses in a rat cortical slice preparations ChEMBL. 9057862
Kb (functional) = 2.2 uM Evaluated to antagonize NMDA responses in a rat cortical slice preparations ChEMBL. 9057862
No. of mice protected (functional) = 0 Evaluated in vivo for their ability to protect against audiogenic seizure in DBA/2 mice when administered 20 mg/kg ip 30 min prior to noise stimulation out of 8 mice tested ChEMBL. 9057862

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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