Detailed information for compound 1466295

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 415.43 | Formula: C18H20F3N3O3S
  • H donors: 2 H acceptors: 4 LogP: 1.74 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1cn(nc1C(F)(F)F)Cc1ccc2c(c1)CCC2NS(=O)(=O)C1CC1
  • InChi: 1S/C18H20F3N3O3S/c19-18(20,21)17-13(10-25)9-24(22-17)8-11-1-5-15-12(7-11)2-6-16(15)23-28(26,27)14-3-4-14/h1,5,7,9,14,16,23,25H,2-4,6,8,10H2
  • InChiKey: LWXHZXWWZPAFBP-UHFFFAOYSA-N  


Substructure search Similarity search

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, ionotropic, AMPA 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis glutamate receptor subunit protein glur Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor subunit protein glur Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 1 Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 4 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Brugia malayi Glutamate receptor 1 precursor Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) glutamate receptor 1 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 4 Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128645 All targets in OG5_128645
Brugia malayi Glutamate receptor 2 precursor Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 glutamate receptor, ionotropic, AMPA 2 883 aa 810 aa 34.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0214 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0214 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0101 0.3648 0.3648
Loa Loa (eye worm) hypothetical protein 0.0214 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0101 0.3648 0.3648
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0101 0.3648 0.3648
Brugia malayi nuclear hormone receptor family member nhr-6 0.0101 0.3648 0.1484
Echinococcus multilocularis thyroid hormone receptor alpha 0.0214 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.4328 0.3808
Loa Loa (eye worm) hypothetical protein 0.0101 0.3648 0.3065
Loa Loa (eye worm) hypothetical protein 0.0101 0.3648 0.3065
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0214 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0113 0.4328 0.4328
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0214 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0101 0.3648 0.3648
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0214 1 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0087 0.2864 0.2864
Echinococcus granulosus glutamate receptor subunit protein glur 0.0062 0.147 0.147
Echinococcus granulosus nuclear receptor nhr 48 0.0101 0.3648 0.3648
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0214 1 1
Brugia malayi nuclear receptor RXR 0.0101 0.3648 0.1484
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0113 0.4328 0.3808
Onchocerca volvulus 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.4328 0.3808
Loa Loa (eye worm) hypothetical protein 0.0214 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0214 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0113 0.4328 0.4328
Loa Loa (eye worm) hypothetical protein 0.0113 0.4328 0.3808
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0214 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0214 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0214 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0214 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0214 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0214 1 1
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0062 0.147 0.147
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0214 1 1
Echinococcus granulosus FTZ F1 alpha 0.0214 1 1
Echinococcus granulosus glutamate receptor 1 0.0051 0.0841 0.0841
Loa Loa (eye worm) hypothetical protein 0.0101 0.3648 0.3065
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0101 0.3648 0.3648
Onchocerca volvulus Protein ultraspiracle homolog 0.0214 1 1
Echinococcus granulosus glutamate receptor 2 0.0076 0.2235 0.2235
Brugia malayi hypothetical protein 0.0101 0.3648 0.1484
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0214 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0214 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0113 0.4328 0.4328
Echinococcus granulosus glutamate receptor 2 0.0087 0.2864 0.2864
Brugia malayi Nuclear hormone receptor-like 1 0.0113 0.4328 0.2396
Echinococcus multilocularis nuclear receptor nhr 48 0.0101 0.3648 0.3648
Schistosoma mansoni thyroid hormone receptor 0.0214 1 1
Schistosoma mansoni nuclear hormone receptor 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.3648 0.3065
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0214 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0214 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0101 0.3648 0.1484
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0214 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.3648 0.3065
Brugia malayi hypothetical protein 0.0113 0.4328 0.2396
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0101 0.3648 0.3648
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0214 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.3648 0.3065
Echinococcus multilocularis glutamate receptor 2 0.0087 0.2864 0.2864
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.3648 0.3065
Schistosoma mansoni nuclear hormone receptor 0.0101 0.3648 0.3648
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0214 1 1
Brugia malayi hypothetical protein 0.0101 0.3648 0.1484
Brugia malayi conserved hypotetical protein 0.0101 0.3648 0.1484
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0101 0.3648 0.3648
Loa Loa (eye worm) hypothetical protein 0.0214 1 1
Brugia malayi nuclear receptor NHR-67 0.0101 0.3648 0.1484
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0087 0.2864 0.2864
Schistosoma mansoni nuclear receptor nhr-48 0.0101 0.3648 0.3648
Loa Loa (eye worm) hypothetical protein 0.0214 1 1
Schistosoma mansoni nuclear receptor 0.0101 0.3648 0.3648
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0214 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0214 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0113 0.4328 0.2396
Echinococcus granulosus Nuclear hormone receptor HR96 0.0101 0.3648 0.3648
Echinococcus multilocularis ecdysone induced protein 78C 0.0214 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0214 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0101 0.3648 0.3648
Echinococcus granulosus Nuclear hormone receptor HR96 0.0101 0.3648 0.3648
Brugia malayi nuclear receptor RXR 0.0113 0.4328 0.2396
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0214 1 1
Brugia malayi steroid hormone receptor 0.0214 1 1
Brugia malayi hypothetical protein 0.0113 0.4328 0.2396
Brugia malayi tailless protein 0.0101 0.3648 0.1484
Schistosoma mansoni nuclear receptor 0.0101 0.3648 0.3648
Loa Loa (eye worm) hypothetical protein 0.0113 0.4328 0.3808
Loa Loa (eye worm) hypothetical protein 0.0101 0.3648 0.3065
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.4328 0.3808
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0214 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0214 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0214 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0214 1 1
Brugia malayi nuclear hormone receptor 0.0101 0.3648 0.1484
Schistosoma mansoni steroid hormone receptor ad4bp 0.0214 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0214 1 1
Brugia malayi nuclear receptor NHR-88 0.0101 0.3648 0.1484
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0214 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0101 0.3648 0.1484
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0214 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0214 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0214 1 1
Echinococcus multilocularis glutamate receptor 4 0.0051 0.0841 0.0841
Brugia malayi Nuclear hormone receptor E75 0.0101 0.3648 0.1484
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0214 1 1
Echinococcus granulosus glutamate receptor 4 0.0051 0.0841 0.0841
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0214 1 1
Schistosoma mansoni nuclear hormone receptor 0.0101 0.3648 0.3648
Schistosoma mansoni coup transcription factor 0.0214 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0101 0.3648 0.3065
Loa Loa (eye worm) glutamate receptor 1 0.0081 0.2542 0.1857
Loa Loa (eye worm) DR-78 0.0101 0.3648 0.3065
Echinococcus multilocularis glutamate receptor 2 0.0076 0.2235 0.2235
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0113 0.4328 0.4328
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0214 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0214 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.3648 0.3065
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0101 0.3648 0.3065
Echinococcus granulosus ecdysone induced protein 78C 0.0214 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0101 0.3648 0.3648
Brugia malayi nuclear hormone receptor 0.0214 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0101 0.3648 0.1484
Loa Loa (eye worm) hypothetical protein 0.0101 0.3648 0.3065
Loa Loa (eye worm) nuclear receptor NHR-67 0.0101 0.3648 0.3065
Schistosoma mansoni RAR-like nuclear receptor 0.0214 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0101 0.3648 0.3648
Schistosoma mansoni zinc finger protein 0.0101 0.3648 0.3648
Brugia malayi ecdysone receptor 0.0101 0.3648 0.1484
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.3648 0.3065
Brugia malayi nuclear receptor NHR-88 0.0214 1 1
Echinococcus multilocularis glutamate receptor 2 0.0081 0.2542 0.2542
Brugia malayi Nuclear hormone receptor E75 0.0101 0.3648 0.1484
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.3648 0.3065
Loa Loa (eye worm) steroid hormone receptor 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.3648 0.3065
Schistosoma mansoni thyroid hormone receptor 0.0214 1 1
Loa Loa (eye worm) hypothetical protein 0.0214 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 6.8 Modulatory activity at GluA2 receptor LBD ChEMBL. 21190850

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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