Detailed information for compound 1204237

Basic information

Technical information
  • TDR Targets ID: 1204237
  • Name: N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesu lfonamide
  • MW: 363.819 | Formula: C16H14ClN3O3S
  • H donors: 1 H acceptors: 4 LogP: 3.36 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Cl
  • InChi: 1S/C16H14ClN3O3S/c1-2-23-11-7-9-12(10-8-11)24(21,22)20-16-15(17)18-13-5-3-4-6-14(13)19-16/h3-10H,2H2,1H3,(H,19,20)
  • InChiKey: YCAWSRFYBFUHRD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-chloroquinoxalin-2-yl)-4-ethoxy-benzenesulfonamide
  • N-(3-chloro-2-quinoxalinyl)-4-ethoxybenzenesulfonamide
  • MLS-0090837.0001
  • ZINC03295132

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0043 0.0802 0.7358
Loa Loa (eye worm) hypothetical protein 0.0043 0.0802 0.7358
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1042 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0074 0.0927
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0802 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0074 0.0927
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1042 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0074 0.0927
Schistosoma mansoni cpg binding protein 0.0035 0.0622 0.0608
Brugia malayi beta-lactamase 0.0043 0.0802 0.7366
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0074 0.0927
Schistosoma mansoni hypothetical protein 0.0494 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0074 0.0927
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0074 0.0927
Leishmania major hypothetical protein, conserved 0.0043 0.0802 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0802 0.7358
Echinococcus granulosus cpg binding protein 0.0037 0.0662 0.0578
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1042 0.1028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1042 0.1028
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0074 0.0927
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0074 0.0927
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1256 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0802 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0802 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0802 0.0787
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0074 0.0927
Mycobacterium tuberculosis Conserved protein 0.0246 0.4939 0.8648
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0802 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0074 0.0927
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1042 0.1028
Mycobacterium leprae Probable lipase LipE 0.0043 0.0802 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0802 0.0718
Mycobacterium ulcerans hypothetical protein 0.0043 0.0802 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0191 0.0633
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0074 0.0927
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0622 0.5381
Echinococcus multilocularis cpg binding protein 0.0037 0.0662 0.0578
Brugia malayi CXXC zinc finger family protein 0.0035 0.0622 0.5396
Loa Loa (eye worm) beta-lactamase 0.0043 0.0802 0.7358
Trichomonas vaginalis esterase, putative 0.0043 0.0802 1
Onchocerca volvulus 0.0043 0.0802 1
Brugia malayi beta-lactamase family protein 0.0043 0.0802 0.7366
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0133 0.0044
Loa Loa (eye worm) hypothetical protein 0.0043 0.0802 0.7358
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1042 0.0961
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0802 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0802 0.0718
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0074 0.0927
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0074 0.0927
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0802 0.5
Trichomonas vaginalis helicase, putative 0.0008 0.0074 0.0927
Loa Loa (eye worm) hypothetical protein 0.0043 0.0802 0.7358
Onchocerca volvulus 0.0043 0.0802 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1042 0.0961
Echinococcus multilocularis iron:zinc purple acid phosphatase protein 0.0014 0.0204 0.0116
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0133 0.0044
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0802 0.7358
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5586 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0802 1
Echinococcus granulosus iron:zinc purple acid phosphatase protein 0.0014 0.0204 0.0116
Mycobacterium ulcerans lipase LipD 0.0043 0.0802 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0074 0.0927
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0074 0.0927
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1416 0.1403
Loa Loa (eye worm) hypothetical protein 0.0043 0.0802 0.7358
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.009 0.0074
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0802 0.0787
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0802 1
Brugia malayi acid phosphatase 0.0014 0.0204 0.0813
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0802 0.5
Mycobacterium ulcerans beta-lactamase 0.0043 0.0802 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0802 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0802 0.7366
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1042 0.0961
Onchocerca volvulus 0.0043 0.0802 1
Schistosoma mansoni cpg binding protein 0.0037 0.0662 0.0648
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0074 0.0927
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0802 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0662 0.0648
Brugia malayi beta-lactamase family protein 0.0043 0.0802 0.7366
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0802 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0074 0.0927
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1042 0.0961
Schistosoma mansoni acid phosphatase-related 0.0014 0.0204 0.0189
Schistosoma mansoni acid phosphatase-related 0.0014 0.0191 0.0175

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 um PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) > 100 uM PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1548, AID1574, AID1577, AID1659, AID518] ChEMBL. No reference
Potency (functional) 0.0023 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 1.2589 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) 3.5481 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 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) = 12.5893 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) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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.

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