Detailed information for compound 871833

Basic information

Technical information
  • TDR Targets ID: 871833
  • Name: N-(4-chlorophenyl)quinoline-8-sulfonamide
  • MW: 318.778 | Formula: C15H11ClN2O2S
  • H donors: 1 H acceptors: 3 LogP: 3.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2
  • InChi: 1S/C15H11ClN2O2S/c16-12-6-8-13(9-7-12)18-21(19,20)14-5-1-3-11-4-2-10-17-15(11)14/h1-10,18H
  • InChiKey: IDPGVJRVFCBNKY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-Chlorophenyl)-8-quinolinesulfonamide
  • 158729-24-9
  • CCRIS 6947

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0012 0.0033 0.004
Schistosoma mansoni cpg binding protein 0.0037 0.0539 0.0508
Loa Loa (eye worm) hypothetical protein 0.0043 0.0668 0.0867
Loa Loa (eye worm) hypothetical protein 0.0012 0.0033 0.004
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0043 0.0668 0.0637
Echinococcus multilocularis cpg binding protein 0.0037 0.0539 0.0537
Brugia malayi Matrixin family protein 0.0043 0.0668 0.1097
Brugia malayi Amidase family protein 0.0037 0.0543 0.089
Brugia malayi Matrixin family protein 0.0104 0.1927 0.3161
Schistosoma mansoni amidase 0.0305 0.6096 0.6083
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0033 0.004
Schistosoma mansoni fatty-acid amide hydrolase 0.0305 0.6096 0.6083
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0033 0.0031
Brugia malayi hypothetical protein 0.0032 0.0434 0.0713
Brugia malayi putative amidase 0.0037 0.0543 0.089
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0033 0.0031
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0033 0.0031
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0018 0.0156 0.0153
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0086 0.1556 0.1554
Onchocerca volvulus 0.0035 0.0498 0.1664
Loa Loa (eye worm) matrixin family protein 0.0104 0.1927 0.2506
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0033 0.0055
Loa Loa (eye worm) hypothetical protein 0.0012 0.0033 0.004
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0033 0.0055
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0033 0.0031
Loa Loa (eye worm) hypothetical protein 0.0043 0.0668 0.0867
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0033 0.0031
Brugia malayi steroid hormone receptor 0.0012 0.0033 0.0055
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0052 0.0862 0.1414
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0033 0.0055
Brugia malayi Matrixin family protein 0.0043 0.0668 0.1097
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0114 0.214 0.2138
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0033 0.0031
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0086 0.1556 0.1528
Brugia malayi ecdysteroid receptor 0.0012 0.0033 0.0055
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0037 0.0543 0.054
Trypanosoma cruzi hypothetical protein, conserved 0.0147 0.2829 1
Schistosoma mansoni hypothetical protein 0.0494 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0033 0.0055
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0018 0.0156 0.0153
Loa Loa (eye worm) hypothetical protein 0.0013 0.006 0.0074
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0156 0.3008 0.3006
Echinococcus granulosus adam 0.0032 0.0434 0.0432
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0147 0.2829 0.2827
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0033 0.0055
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.114 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0033 0.0055
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0033 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0033 0.004
Echinococcus granulosus fatty acid amide hydrolase 1 0.0305 0.6096 0.6095
Mycobacterium ulcerans hydrolase 0.0052 0.0862 1
Schistosoma mansoni hypothetical protein 0.0061 0.1039 0.1009
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0033 0.0055
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0037 0.0543 0.054
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0037 0.0543 0.5
Brugia malayi Lipase family protein 0.0147 0.2829 0.464
Echinococcus granulosus disintegrin and metalloproteinase 0.0018 0.0156 0.0153
Echinococcus granulosus fatty acid amide hydrolase 1 0.0037 0.0543 0.054
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0018 0.0156 0.0123
Loa Loa (eye worm) matrixin family protein 0.0095 0.175 0.2275
Schistosoma mansoni cpg binding protein 0.0037 0.0539 0.0508
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0114 0.214 0.2138
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0052 0.0862 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0033 0.004
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0032 0.0434 0.0402
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0037 0.0543 0.0511
Loa Loa (eye worm) hypothetical protein 0.0013 0.006 0.0074
Brugia malayi nuclear hormone receptor 0.0012 0.0033 0.0055
Loa Loa (eye worm) hypothetical protein 0.0012 0.0033 0.004
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0033 0.0055
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0033 0.0055
Loa Loa (eye worm) hypothetical protein 0.0012 0.0033 0.004
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1303 0.1274
Trypanosoma cruzi hypothetical protein, conserved 0.0147 0.2829 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0305 0.6096 0.6095
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0086 0.1556 0.2553
Loa Loa (eye worm) reprolysin 0.0018 0.0156 0.0199
Loa Loa (eye worm) hypothetical protein 0.0052 0.0862 0.1119
Loa Loa (eye worm) hypothetical protein 0.0012 0.0033 0.004
Loa Loa (eye worm) hypothetical protein 0.0018 0.0156 0.0199
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0033 0.0031
Loa Loa (eye worm) amidase 0.0037 0.0543 0.0703
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0498 0.0645
Loa Loa (eye worm) amidase 0.0037 0.0543 0.0703
Onchocerca volvulus 0.0061 0.1039 0.3599
Leishmania major hypothetical protein, conserved 0.0147 0.2829 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0033 0.0031
Trypanosoma brucei lipase domain protein, putative 0.0147 0.2829 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0033 0.0055
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0033 0.0055
Loa Loa (eye worm) hypothetical protein 0.0043 0.0668 0.0867
Trichomonas vaginalis lipase containing protein, putative 0.0147 0.2829 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0033 0.0055
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0033 0.0055
Echinococcus multilocularis adam 0.0032 0.0434 0.0432
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0033 0.0031
Echinococcus multilocularis disintegrin and metalloproteinase 0.0018 0.0156 0.0153
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0033 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0033 0.0055
Brugia malayi Amidase family protein 0.0037 0.0543 0.089
Schistosoma mansoni fatty-acid amide hydrolase 0.0037 0.0543 0.0511
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0033 0.0031
Onchocerca volvulus Matrilysin homolog 0.0095 0.175 0.614
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0182 0.354 0.3519
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0018 0.0156 0.0123
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0033 0.004
Onchocerca volvulus 0.0043 0.0668 0.2272
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0033 0.0055
Loa Loa (eye worm) hypothetical protein 0.0013 0.006 0.0074
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0033 0.0031
Loa Loa (eye worm) hypothetical protein 0.0012 0.0033 0.004
Echinococcus granulosus adam 17 protease 0.02 0.3915 0.3913
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0037 0.0543 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.0539 0.0537
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0147 0.2829 0.2827
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0033 0.0031
Brugia malayi ADAMTS-like protease 0.0013 0.006 0.0098
Brugia malayi Disintegrin family protein 0.0018 0.0156 0.0255
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0156 0.3008 0.3006
Onchocerca volvulus Matrix metalloproteinase homolog 0.0095 0.175 0.614
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0033 0.004
Brugia malayi angiogenesis inhibito 0.0013 0.006 0.0098
Brugia malayi ADAM-TS Spacer 1 family protein 0.0013 0.006 0.0098
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0033 0.0031
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0033 0.0031
Trypanosoma brucei lipase domain protein, putative 0.0147 0.2829 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.0033 0.0055
Brugia malayi Matrixin family protein 0.0043 0.0668 0.1097
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0033 0.0031
Onchocerca volvulus Matrilysin homolog 0.0043 0.0668 0.2272
Loa Loa (eye worm) hypothetical protein 0.0012 0.0033 0.004
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0033 0.004
Loa Loa (eye worm) lipase 0.0147 0.2829 0.368
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0033 0.004
Loa Loa (eye worm) hypothetical protein 0.0305 0.6096 0.7936
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0086 0.1556 0.1554
Brugia malayi amidase 0.0305 0.6096 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0033 0.004
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0037 0.0543 0.054
Echinococcus granulosus fatty acid amide hydrolase 1 0.0305 0.6096 0.6095
Onchocerca volvulus 0.0147 0.2829 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0498 0.0818
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0037 0.0543 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0033 0.0031
Mycobacterium leprae PROBABLE HYDROLASE 0.0052 0.0862 1
Schistosoma mansoni dihydroceramide desaturase 0.0018 0.0156 0.0123
Brugia malayi Hemopexin family protein 0.0061 0.1039 0.1705
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0037 0.0543 0.5
Brugia malayi Matrixin family protein 0.0043 0.0668 0.1097
Loa Loa (eye worm) matrix metalloproteinase 0.0043 0.0668 0.0867
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0037 0.0543 0.5
Trichomonas vaginalis lipase containing protein, putative 0.0147 0.2829 0.5
Schistosoma mansoni cpg binding protein 0.0035 0.0498 0.0467
Echinococcus multilocularis adam 17 protease 0.0182 0.354 0.3538
Loa Loa (eye worm) hypothetical protein 0.0382 0.7681 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0033 0.0055
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0305 0.6096 0.6095

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.