Detailed information for compound 873215

Basic information

Technical information
  • TDR Targets ID: 873215
  • Name: N-(4-bromo-2-fluorophenyl)-3-[(3-oxo-4H-1,4-b enzoxazin-6-yl)sulfonyl]butanamide
  • MW: 471.297 | Formula: C18H16BrFN2O5S
  • H donors: 2 H acceptors: 4 LogP: 2.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC(S(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C)Nc1ccc(cc1F)Br
  • InChi: 1S/C18H16BrFN2O5S/c1-10(6-17(23)21-14-4-2-11(19)7-13(14)20)28(25,26)12-3-5-16-15(8-12)22-18(24)9-27-16/h2-5,7-8,10H,6,9H2,1H3,(H,21,23)(H,22,24)
  • InChiKey: ZVJQEBFSCZEFIC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-bromo-2-fluoro-phenyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide
  • N-(4-bromo-2-fluoro-phenyl)-3-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonyl]butyramide
  • E667-1099
  • NCGC00124307-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0967 0.314 1
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0967 0.314 0.5259
Onchocerca volvulus Papilin homolog 0.0731 0.1938 0.8363
Brugia malayi Hemopexin family protein 0.0456 0.0539 0.0334
Loa Loa (eye worm) hypothetical protein 0.2314 1 1
Loa Loa (eye worm) hypothetical protein 0.0391 0.0211 0.0211
Schistosoma mansoni hypothetical protein 0.0456 0.0539 0.109
Loa Loa (eye worm) matrixin family protein 0.0849 0.254 0.254
Brugia malayi ADAMTS-like protease 0.071 0.1833 0.1656
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.124 0.4532 1
Brugia malayi hypothetical protein 0.0663 0.1596 0.1415
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0391 0.0211 0.5
Brugia malayi angiogenesis inhibito 0.071 0.1833 0.1656
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0967 0.314 0.5259
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0663 0.1596 0.4713
Onchocerca volvulus Matrix metalloproteinase homolog 0.0713 0.1847 0.7818
Loa Loa (eye worm) angiogenesis inhibito 0.036 0.0052 0.0052
Mycobacterium leprae PROBABLE HYDROLASE 0.0391 0.0211 0.5
Loa Loa (eye worm) hypothetical protein 0.0731 0.1938 0.1938
Brugia malayi Matrixin family protein 0.0849 0.254 0.2378
Mycobacterium ulcerans hydrolase 0.0391 0.0211 0.5
Loa Loa (eye worm) hypothetical protein 0.0663 0.1596 0.1596
Onchocerca volvulus Matrilysin homolog 0.0784 0.2212 1
Loa Loa (eye worm) hypothetical protein 0.0393 0.022 0.022
Loa Loa (eye worm) matrixin family protein 0.0713 0.1847 0.1847
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.124 0.4532 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1042 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) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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