Detailed information for compound 1218183

Basic information

Technical information
  • TDR Targets ID: 1218183
  • Name: 2-methyl-N-(3-morpholin-4-ylquinoxalin-2-yl)b enzenesulfonamide
  • MW: 384.452 | Formula: C19H20N4O3S
  • H donors: 1 H acceptors: 4 LogP: 2.51 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1CCOCC1
  • InChi: 1S/C19H20N4O3S/c1-14-6-2-5-9-17(14)27(24,25)22-18-19(23-10-12-26-13-11-23)21-16-8-4-3-7-15(16)20-18/h2-9H,10-13H2,1H3,(H,20,22)
  • InChiKey: JGEQBBQMFIMTQM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methyl-N-(3-morpholinoquinoxalin-2-yl)benzenesulfonamide
  • 2-methyl-N-(3-morpholino-2-quinoxalinyl)benzenesulfonamide
  • MLS000079947
  • SMR000041515
  • STOCK3S-13539
  • ZINC02300864

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor coactivator 2 Starlite/ChEMBL No references
Homo sapiens peroxisome proliferator-activated receptor gamma No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens nuclear receptor coactivator 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 %
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis aryl hydrocarbon receptor 0.0064 0.3253 0.3117
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0019 0.0227 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0583 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.1942 0.4463
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0198 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0583 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0198 0.5
Leishmania major hypothetical protein, conserved 0.0024 0.0583 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0019 0.0227 1
Leishmania major protein kinase, putative 0.0019 0.0227 0.0771
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0064 0.3253 0.7816
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0019 0.0227 0.0771
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0583 0.5
Echinococcus multilocularis geminin 0.0164 1 1
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0045 0.1964 0.1802
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0198 0.0481
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0583 1
Trichomonas vaginalis guanylate cyclase, putative 0.0019 0.0227 1
Leishmania major protein kinase, putative 0.0019 0.0227 0.0771
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0198 0.0481
Trichomonas vaginalis guanylate cyclase, putative 0.0019 0.0227 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4107 0.3988
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0019 0.0227 0.0771
Brugia malayi TAR-binding protein 0.0076 0.4107 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0583 0.0987
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0019 0.0227 0.0771
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4107 1
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0044 0.1942 0.4729
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0019 0.0227 0.0771
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0019 0.0227 1
Brugia malayi PAS domain containing protein 0.0019 0.0227 0.0553
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0045 0.1964 0.4781
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0045 0.1964 0.4517
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0583 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.1942 0.4463
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4107 0.3988
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0583 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4107 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0064 0.3253 0.3117
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0019 0.0227 0.0771
Loa Loa (eye worm) hypothetical protein 0.0044 0.1942 0.4463
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0198 0.5
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0019 0.0227 0.5
Giardia lamblia DINP protein human, muc B family 0.0019 0.0198 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4107 0.3988
Brugia malayi RNA binding protein 0.0076 0.4107 1
Onchocerca volvulus 0.0064 0.3232 1
Brugia malayi hypothetical protein 0.0024 0.0583 0.142
Mycobacterium leprae Possible regulatory protein 0.0019 0.0227 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4107 0.3988
Schistosoma mansoni hypothetical protein 0.0164 1 1
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0019 0.0227 1
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0019 0.0227 1
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0227 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0583 1
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0019 0.0249 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0227 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.4107 0.3988
Trichomonas vaginalis adenylate cyclase, putative 0.0019 0.0227 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.3232 0.7761
Loa Loa (eye worm) RNA binding protein 0.0076 0.4107 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.1942 0.4463
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0045 0.1964 0.4781
Brugia malayi hypothetical protein 0.0045 0.1964 0.4781
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0198 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4107 1
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0227 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0227 0.0076
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0198 0.5
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0019 0.0227 0.0771
Schistosoma mansoni aryl hydrocarbon receptor 0.0019 0.0249 0.0052
Schistosoma mansoni hypothetical protein 0.0164 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4107 0.3988
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4107 0.3988
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0019 0.0249 0.0052
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0019 0.0227 0.0771
Schistosoma mansoni single-minded 0.0019 0.0227 0.003
Brugia malayi hypothetical protein 0.0044 0.1942 0.4729
Brugia malayi hypothetical protein 0.0064 0.3232 0.7869

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 10.1 uM PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 1 (SRC-1) recruitment by the peroxisome proliferator-activated receptor gamma (PPAR gamma): non-selective agonists. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1300, AID1808, AID504735, AID631] ChEMBL. No reference
EC50 (functional) = 11.78 um PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 2 (SRC-2) recruitment by the peroxisome proliferator-activated receptor gamma (PPAR gamma): non-selective agonists. (Class of assay: confirmatory) [Related pubchem assays: 1297, 1032 ] ChEMBL. No reference
EC50 (functional) > 79.37 um PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 3 (SRC-3) recruitment by the peroxisome proliferator-activated receptor gamma (PPAR gamma): non-selective agonists. (Class of assay: confirmatory) [Related pubchem assays: 1301 (Confirmation screen.), 1048 (Primary screen.)] ChEMBL. No reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] 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) 50.1187 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 281.8383 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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