Detailed information for compound 1272249

Basic information

Technical information
  • TDR Targets ID: 1272249
  • Name: 6-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(2 -methoxyethyl)-4-oxo-1H-quinoline-3-carboxami de
  • MW: 443.516 | Formula: C22H25N3O5S
  • H donors: 2 H acceptors: 5 LogP: 2.95 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)c1cnc2c(c1O)cc(cc2)S(=O)(=O)N(c1ccc(c(c1)C)C)C
  • InChi: 1S/C22H25N3O5S/c1-14-5-6-16(11-15(14)2)25(3)31(28,29)17-7-8-20-18(12-17)21(26)19(13-24-20)22(27)23-9-10-30-4/h5-8,11-13H,9-10H2,1-4H3,(H,23,27)(H,24,26)
  • InChiKey: VWFVOTGWGHPOSO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[(3,4-dimethylphenyl)-methyl-sulfamoyl]-N-(2-methoxyethyl)-4-oxo-1H-quinoline-3-carboxamide
  • 6-[(3,4-dimethylphenyl)-methyl-sulfamoyl]-4-keto-N-(2-methoxyethyl)-1H-quinoline-3-carboxamide
  • EU-0063516

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ATM serine/threonine kinase Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
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
Entamoeba histolytica hypothetical protein 0.003 0.2661 0.3776
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0678 0.0678
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.5929 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0689 0.0052
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.5371 0.906
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.2661 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0678 0.1144
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.2661 0.2661
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0678 0.1144
Loa Loa (eye worm) hypothetical protein 0.0026 0.164 0.164
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.003 0.2661 0.4488
Echinococcus granulosus serine protein kinase ATM 0.003 0.2661 0.4488
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.003 0.2661 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.5929 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0678 0.0678
Brugia malayi hypothetical protein 0.0043 0.5929 0.5929
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0678 0.1144
Giardia lamblia GTOR 0.0022 0.0678 0.5
Leishmania major phosphatidylinositol kinase related protein, putative 0.0022 0.0689 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0678 0.1144
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.2661 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5371 0.5371
Entamoeba histolytica hypothetical protein 0.0043 0.5929 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0678 0.0678
Entamoeba histolytica hypothetical protein 0.0043 0.5929 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.5929 1
Schistosoma mansoni hypothetical protein 0.0043 0.5929 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0678 0.1144
Loa Loa (eye worm) hypothetical protein 0.0041 0.5371 0.5371
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Toxoplasma gondii FATC domain-containing protein 0.003 0.2661 1
Entamoeba histolytica hypothetical protein 0.0043 0.5929 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0678 0.0678
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0678 0.1144
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.5929 1
Echinococcus multilocularis serine protein kinase ATM 0.003 0.2661 0.4488
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.164 0.4849

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 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) 6.3096 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) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) 23.1093 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 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) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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