Detailed information for compound 1270167

Basic information

Technical information
  • TDR Targets ID: 1270167
  • Name: N-[(3R,4S)-4-[4-(4-cyanophenyl)phenyl]-1-phen ylpyrrolidin-3-yl]propane-2-sulfonamide
  • MW: 445.576 | Formula: C26H27N3O2S
  • H donors: 1 H acceptors: 3 LogP: 4.88 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(S(=O)(=O)N[C@H]1CN(C[C@@H]1c1ccc(cc1)c1ccc(cc1)C#N)c1ccccc1)C
  • InChi: 1S/C26H27N3O2S/c1-19(2)32(30,31)28-26-18-29(24-6-4-3-5-7-24)17-25(26)23-14-12-22(13-15-23)21-10-8-20(16-27)9-11-21/h3-15,19,25-26,28H,17-18H2,1-2H3/t25-,26+/m1/s1
  • InChiKey: SKVGYSCPLWDVIQ-FTJBHMTQSA-N  

Network

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Synonyms

  • N-[(3R,4S)-4-[4-(4-cyanophenyl)phenyl]-1-phenyl-pyrrolidin-3-yl]propane-2-sulfonamide
  • N-[(3R,4S)-4-[4-(4-cyanophenyl)phenyl]-1-phenyl-3-pyrrolidinyl]propane-2-sulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References
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
Brugia malayi Glutamate receptor 2 precursor Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128645 All targets in OG5_128645
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus glutamate receptor 1 Get druggable targets OG5_128645 All targets in OG5_128645
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus 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) hypothetical protein Get druggable targets OG5_128645 All targets in OG5_128645
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis glutamate receptor 2 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 multilocularis glutamate receptor, ionotrophic, AMPA 3 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 multilocularis glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor subunit protein glur 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
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis glutamate receptor 4 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 granulosus glutamate receptor 2 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
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Glutamate receptor 1 precursor Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858

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
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.4395 0.4625
Schistosoma mansoni glutamate receptor kainate 0.003 0.2516 0.5099
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0036 0.3274 0.3274
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.0223 0.0223
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0036 0.3274 0.3274
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0062 0.6726 0.6726
Loa Loa (eye worm) glutamate receptor 2 0.003 0.2516 0.2542
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.4934 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0036 0.3274 0.3274
Echinococcus multilocularis glutamate receptor 4 0.0051 0.5248 0.5248
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.4008 0.5
Echinococcus multilocularis glutamate receptor 2 0.0081 0.9242 0.9242
Echinococcus granulosus glutamate receptor 4 0.0051 0.5248 0.5248
Loa Loa (eye worm) hypothetical protein 0.0039 0.3619 0.3765
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0036 0.3274 0.3274
Loa Loa (eye worm) hypothetical protein 0.0051 0.5248 0.5572
Echinococcus granulosus voltage gated potassium channel 0.0013 0.0223 0.0223
Echinococcus granulosus glutamate NMDA receptor subunit 0.003 0.2516 0.2516
Echinococcus multilocularis glutamate receptor 2 0.0076 0.8522 0.8522
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0087 1 1
Brugia malayi Glutamate receptor 1 precursor 0.0081 0.9242 1
Loa Loa (eye worm) glutamate receptor 1 0.0081 0.9242 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.5248 0.5572
Echinococcus granulosus glutamate receptor 1 0.0051 0.5248 0.5248
Echinococcus granulosus glutamate receptor 2 0.0076 0.8522 0.8522
Loa Loa (eye worm) hypothetical protein 0.0051 0.5248 0.5572
Schistosoma mansoni glutamate receptor kainate 0.003 0.2516 0.5099
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0036 0.3274 0.3274
Brugia malayi Glutamate receptor 2 precursor 0.0081 0.9242 1
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0223 0.0453
Schistosoma mansoni glutamate receptor NMDA 0.003 0.2516 0.5099
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.0223 0.0223
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.4395 0.4395
Echinococcus granulosus glutamate receptor subunit protein glur 0.0062 0.6726 0.6726
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0223 0.0453
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.4934 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.003 0.2516 0.2516
Schistosoma mansoni glutamate receptor NMDA 0.0036 0.3274 0.6635
Schistosoma mansoni ATP-binding cassette transporter 0.003 0.2516 0.5099
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0087 1 1
Echinococcus multilocularis glutamate receptor 2 0.0087 1 1
Schistosoma mansoni glutamate receptor kainate 0.003 0.2516 0.5099
Schistosoma mansoni glutamate receptor AMPA 0.003 0.2516 0.5099
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.4008 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.4395 0.4625
Schistosoma mansoni glutamate receptor AMPA 0.003 0.2516 0.5099
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.4395 0.4395
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.0223 0.0223
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0036 0.3274 0.3274

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 48 % Positive modulation of human GluA2 flip receptor by FLIPR assay relative to cyclothiazide ChEMBL. 20971003
EC50 (binding) = 6.2 uM Positive modulation of human GluA2 flip receptor by FLIPR assay ChEMBL. 20971003
IC50 (binding) = 0.8 uM Displacement of [3H]-dofetilide from human hERG ChEMBL. 20971003

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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