Detailed information for compound 830818

Basic information

Technical information
  • TDR Targets ID: 830818
  • Name: N-(3-acetylphenyl)-1-quinolin-8-ylsulfonylpyr rolidine-2-carboxamide
  • MW: 423.485 | Formula: C22H21N3O4S
  • H donors: 1 H acceptors: 5 LogP: 2.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCN1S(=O)(=O)c1cccc2c1nccc2)Nc1cccc(c1)C(=O)C
  • InChi: 1S/C22H21N3O4S/c1-15(26)17-7-2-9-18(14-17)24-22(27)19-10-5-13-25(19)30(28,29)20-11-3-6-16-8-4-12-23-21(16)20/h2-4,6-9,11-12,14,19H,5,10,13H2,1H3,(H,24,27)
  • InChiKey: FNSSFKACPBUHJE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-acetylphenyl)-1-(8-quinolylsulfonyl)pyrrolidine-2-carboxamide
  • N-(3-acetylphenyl)-1-(8-quinolylsulfonyl)-2-pyrrolidinecarboxamide
  • N-(3-ethanoylphenyl)-1-quinolin-8-ylsulfonyl-pyrrolidine-2-carboxamide
  • MLS000119089
  • SMR000096028

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.031 0.2498 0.245
Entamoeba histolytica fatty acid elongase, putative 0.0041 0.0243 0.3451
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0093 0.003
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0023 0.0093 0.0282
Mycobacterium tuberculosis Probable peptidase 0.0096 0.0704 0.2471
Giardia lamblia Alanyl dipeptidyl peptidase 0.0096 0.0704 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0023 0.0093 0.003
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0312 0.2517 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0023 0.0093 0.003
Brugia malayi prolyl oligopeptidase family protein 0.0096 0.0704 0.0645
Toxoplasma gondii hypothetical protein 0.0096 0.0704 0.2134
Brugia malayi prolyl oligopeptidase family protein 0.0096 0.0704 0.0645
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0096 0.0704 0.2471
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0096 0.0704 0.1906
Schistosoma mansoni glutamate receptor kainate 0.0026 0.012 0.012
Trypanosoma cruzi prolyl endopeptidase 0.0096 0.0704 0.1906
Echinococcus granulosus glutamate NMDA receptor subunit 0.0026 0.012 0.0057
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0405 0.3298 0.3256
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0096 0.0704 0.2471
Schistosoma mansoni hypothetical protein 0.0019 0.0063 0.0063
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0034 0.0188 0.0126
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0405 0.3298 1
Echinococcus multilocularis prolyl endopeptidase 0.0096 0.0704 0.0645
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0405 0.3298 1
Loa Loa (eye worm) RecQ helicase 0.0023 0.0093 0.003
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0023 0.0093 0.003
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0023 0.0093 0.003
Plasmodium vivax hypothetical protein, conserved 0.0096 0.0704 0.2796
Entamoeba histolytica hypothetical protein, conserved 0.0096 0.0704 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0407 0.0347
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0023 0.0093 0.0282
Entamoeba histolytica prolyl oligopeptidase family protein 0.0096 0.0704 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0312 0.2517 1
Trypanosoma cruzi oligopeptidase b 0.0096 0.0704 0.1906
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0031 0.0161 0.0098
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0096 0.0704 0.0704
Entamoeba histolytica fatty acid elongase, putative 0.0041 0.0243 0.3451
Entamoeba histolytica recQ family helicase, putative 0.0023 0.0093 0.132
Schistosoma mansoni glutamate receptor kainate 0.0026 0.012 0.012
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0031 0.0161 0.0098
Schistosoma mansoni hypothetical protein 0.0019 0.0063 0.0063
Trypanosoma brucei oligopeptidase b 0.0096 0.0704 0.1906
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0031 0.0161 0.0098
Schistosoma mansoni DNA helicase recq1 0.0023 0.0093 0.0093
Schistosoma mansoni glutamate receptor kainate 0.0026 0.012 0.012
Echinococcus multilocularis glutamate receptor 2 0.0026 0.012 0.0057
Schistosoma mansoni hypothetical protein 0.0019 0.0063 0.0063
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0031 0.0161 0.0098
Schistosoma mansoni glutamate receptor AMPA 0.0026 0.012 0.012
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0405 0.3298 0.3298
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0312 0.2517 1
Schistosoma mansoni glutamate receptor NMDA 0.0031 0.0161 0.0161
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0031 0.0161 0.0098
Toxoplasma gondii prolyl endopeptidase 0.0096 0.0704 0.2134
Echinococcus multilocularis glutamate receptor 2 0.0031 0.0161 0.0098
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0096 0.0704 1
Echinococcus multilocularis nmda type glutamate receptor 0.0034 0.0188 0.0126
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0023 0.0093 0.003
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0312 0.2517 1
Schistosoma mansoni glutamate receptor AMPA 0.0026 0.012 0.012
Entamoeba histolytica fatty acid elongase, putative 0.0041 0.0243 0.3451
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0312 0.2517 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0704 0.0645
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0096 0.0704 0.1906
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0096 0.0704 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0407 0.0347
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0312 0.2517 1
Echinococcus multilocularis acylamino acid releasing enzyme 0.0096 0.0704 0.0645
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0023 0.0093 0.003
Trypanosoma brucei prolyl endopeptidase 0.0096 0.0704 0.1906
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0023 0.0093 0.003
Schistosoma mansoni hypothetical protein 0.0019 0.0063 0.0063
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.1206 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0096 0.0704 0.1906
Loa Loa (eye worm) glutamate receptor 1 0.0026 0.012 0.0057
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0405 0.3298 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0704 0.0645
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.1206 1 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0026 0.012 0.0057
Loa Loa (eye worm) prolyl oligopeptidase 0.0096 0.0704 0.0645
Echinococcus granulosus nmda type glutamate receptor 0.0034 0.0188 0.0126
Loa Loa (eye worm) glutamate receptor 2 0.0026 0.012 0.0057
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0405 0.3298 1
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0093 0.003
Brugia malayi Glutamate receptor 1 precursor 0.0026 0.012 0.0057
Schistosoma mansoni glutamate receptor NMDA 0.0026 0.012 0.012
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0096 0.0704 0.5
Echinococcus multilocularis glutamate receptor 2 0.0021 0.0081 0.0018
Trypanosoma cruzi hypothetical protein, conserved 0.0096 0.0704 0.1906
Echinococcus granulosus prolyl endopeptidase 0.0096 0.0704 0.0645
Plasmodium falciparum peptidase, putative 0.0096 0.0704 0.252
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.1206 1 1
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0096 0.0704 0.1906
Entamoeba histolytica fatty acid elongase, putative 0.0041 0.0243 0.3451
Echinococcus granulosus glutamate receptor 2 0.0031 0.0161 0.0098
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0704 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0407 0.0347
Echinococcus granulosus Dipeptidyl peptidase 9 0.0405 0.3298 0.3256
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0096 0.0704 0.1906
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0312 0.2517 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0248 0.0186
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.1206 1 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0096 0.0704 0.1906
Echinococcus granulosus acylamino acid releasing enzyme 0.0096 0.0704 0.0645
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0096 0.0704 0.0704
Entamoeba histolytica prolyl oligopeptidase family protein 0.0096 0.0704 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0031 0.0161 0.0098
Schistosoma mansoni ATP-binding cassette transporter 0.0026 0.012 0.012
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0312 0.2517 1
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0096 0.0704 1
Brugia malayi prolyl oligopeptidase family protein 0.0405 0.3298 0.3256
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0031 0.0161 0.0098
Loa Loa (eye worm) hypothetical protein 0.031 0.2498 0.245
Loa Loa (eye worm) hypothetical protein 0.0023 0.0093 0.003
Echinococcus granulosus bloom syndrome protein 0.0023 0.0093 0.003
Entamoeba histolytica fatty acid elongase, putative 0.0041 0.0243 0.3451
Schistosoma mansoni DNA helicase recq5 0.0023 0.0093 0.0093
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0405 0.3298 1
Brugia malayi Glutamate receptor 2 precursor 0.0026 0.012 0.0057
Brugia malayi prolyl oligopeptidase family protein 0.0096 0.0704 0.0645
Trypanosoma cruzi oligopeptidase b 0.0096 0.0704 0.1906
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0024 0.0108 0.5
Giardia lamblia Alanyl dipeptidyl peptidase 0.0096 0.0704 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0248 0.0186
Entamoeba histolytica prolyl oligopeptidase family protein 0.0096 0.0704 1
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0096 0.0704 0.1906
Loa Loa (eye worm) hypothetical protein 0.006 0.0407 0.0347
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0031 0.0161 0.0098
Echinococcus granulosus glutamate receptor 2 0.0021 0.0081 0.0018
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0405 0.3298 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0096 0.0704 0.0704
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0096 0.0704 0.0704
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0096 0.0704 0.1906
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0096 0.0704 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0704 0.0645
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0024 0.0108 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0248 0.0248
Loa Loa (eye worm) prolyl oligopeptidase 0.1206 1 1
Leishmania major oligopeptidase b 0.0096 0.0704 0.1906
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0096 0.0704 0.2134

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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