Detailed information for compound 781376

Basic information

Technical information
  • TDR Targets ID: 781376
  • Name: 3-(2,1,3-benzoxadiazol-7-ylsulfonylamino)-N-( 4-chlorophenyl)propanamide
  • MW: 380.806 | Formula: C15H13ClN4O4S
  • H donors: 2 H acceptors: 5 LogP: 1.58 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)Cl)CCNS(=O)(=O)c1cccc2c1non2
  • InChi: 1S/C15H13ClN4O4S/c16-10-4-6-11(7-5-10)18-14(21)8-9-17-25(22,23)13-3-1-2-12-15(13)20-24-19-12/h1-7,17H,8-9H2,(H,18,21)
  • InChiKey: PNEHQUNNEWZPNO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(benzofurazan-4-ylsulfonylamino)-N-(4-chlorophenyl)propionamide

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 muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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
Schistosoma mansoni alkaline phosphatase 0.0165 0.9041 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0069 0.2886 0.176
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0069 0.2886 0.2241
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0165 0.9041 0.8889
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0024 0.0002 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0069 0.2886 1
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.2886 1
Echinococcus granulosus muscleblind protein 0.018 1 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0069 0.2886 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0069 0.2886 0.2241
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0165 0.9041 0.8889
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0069 0.2886 0.176
Echinococcus granulosus intestinal type alkaline phosphatase 0.0165 0.9041 0.8889
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.2886 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0069 0.2886 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.2886 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0069 0.2886 0.2241
Loa Loa (eye worm) hypothetical protein 0.006 0.2325 0.1368
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0165 0.9041 0.8889
Schistosoma mansoni hypothetical protein 0.0086 0.3968 0.3605
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.7687 0.7399
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2325 0.1368
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0069 0.2886 0.2886
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0069 0.2886 0.5
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0165 0.9041 0.8889
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0069 0.2886 0.5
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0045 0.1367 0.029
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0069 0.2886 0.176
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0069 0.2886 1
Echinococcus granulosus alkaline phosphatase 0.0165 0.9041 0.8889
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0069 0.2886 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2325 0.2325
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0069 0.2886 1
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0069 0.2886 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.2886 1
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.7687 0.7399
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0069 0.2886 0.5
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0069 0.2886 0.176
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0069 0.2886 0.5
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0024 0.0002 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0069 0.2886 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1109 0.1109
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0069 0.2886 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0048 0.1521 0.0464
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0069 0.2886 0.5
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0069 0.2886 0.5
Echinococcus multilocularis muscleblind protein 0.018 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2325 0.2325
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0045 0.1367 0.4737
Echinococcus multilocularis alkaline phosphatase 0.0165 0.9041 0.8889
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0069 0.2886 0.2241
Schistosoma mansoni alkaline phosphatase 0.0165 0.9041 1
Brugia malayi MH2 domain containing protein 0.0144 0.7687 0.7687
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0069 0.2886 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.2886 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.2886 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0045 0.1367 0.4737
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0048 0.1521 0.0464
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.2886 1
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0165 0.9041 0.8889
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0069 0.2886 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.2886 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0069 0.2886 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.1367 0.029
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.2886 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0045 0.1367 0.029
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0069 0.2886 0.5
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0069 0.2886 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 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) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

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.

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