Detailed information for compound 1424618

Basic information

Technical information
  • TDR Targets ID: 1424618
  • Name: N-[2-(4-chlorophenyl)ethyl]-6-methyl-3-oxo-4H -1,4-benzoxazine-7-sulfonamide
  • MW: 380.846 | Formula: C17H17ClN2O4S
  • H donors: 2 H acceptors: 3 LogP: 2.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1COc2c(N1)cc(c(c2)S(=O)(=O)NCCc1ccc(cc1)Cl)C
  • InChi: 1S/C17H17ClN2O4S/c1-11-8-14-15(24-10-17(21)20-14)9-16(11)25(22,23)19-7-6-12-2-4-13(18)5-3-12/h2-5,8-9,19H,6-7,10H2,1H3,(H,20,21)
  • InChiKey: TVUAUJCFKRROSI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-chlorophenyl)ethyl]-3-keto-6-methyl-4H-1,4-benzoxazine-7-sulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0333 0.4324 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0333 0.4324 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0194 0.0194
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0047 0 0.5
Echinococcus multilocularis ornithine aminotransferase 0.0047 0 0.5
Mycobacterium tuberculosis Probable aminotransferase 0.0333 0.4324 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0194 0.0194
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0047 0 0.5
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0333 0.4324 0.5
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0047 0 0.5
Echinococcus granulosus ornithine aminotransferase 0.0047 0 0.5
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0333 0.4324 1
Mycobacterium ulcerans hypothetical protein 0.0333 0.4324 1
Plasmodium vivax ornithine aminotransferase, putative 0.0047 0 0.5
Echinococcus granulosus Aminotransferase class III 0.0047 0 0.5
Onchocerca volvulus 0.0709 1 0.5
Echinococcus multilocularis ornithine aminotransferase 0.0047 0 0.5
Plasmodium falciparum ornithine aminotransferase 0.0047 0 0.5
Loa Loa (eye worm) pax transcription factor protein 2 0.0709 1 1
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0047 0 0.5
Echinococcus multilocularis Aminotransferase class III 0.0047 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) 18.526 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) = 31.6228 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

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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