Detailed information for compound 1584216

Basic information

Technical information
  • TDR Targets ID: 1584216
  • Name: 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo ethyl]-N,N-diethyl-3-oxo-1,4-benzoxazine-6-su lfonamide
  • MW: 521.029 | Formula: C24H29ClN4O5S
  • H donors: 0 H acceptors: 4 LogP: 2.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(CC1)c1ccc(cc1)Cl)C(=O)CO2)CC
  • InChi: 1S/C24H29ClN4O5S/c1-3-28(4-2)35(32,33)20-9-10-22-21(15-20)29(24(31)17-34-22)16-23(30)27-13-11-26(12-14-27)19-7-5-18(25)6-8-19/h5-10,15H,3-4,11-14,16-17H2,1-2H3
  • InChiKey: JWRFEHVYQKYOJP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-N,N-diethyl-3-oxo-1,4-benzoxazine-6-sulfonamide
  • 4-[2-[4-(4-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzoxazine-6-sulfonamide
  • 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-keto-ethyl]-N,N-diethyl-3-keto-1,4-benzoxazine-6-sulfonamide
  • K788-9951
  • NCGC00140484-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Sema domain containing protein 0.0052 0.1954 0.1851
Echinococcus multilocularis plexin a4 0.0148 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1954 0.1851
Brugia malayi hypothetical protein 0.0052 0.1954 0.1851
Brugia malayi Plexin repeat family protein 0.0125 0.8075 0.805
Entamoeba histolytica tyrosin kinase, putative 0.0029 0 0.5
Brugia malayi hypothetical protein 0.0052 0.1954 0.1851
Loa Loa (eye worm) hypothetical protein 0.0052 0.1954 0.1851
Schistosoma mansoni plexin 0.0125 0.8075 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.8075 0.805
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0126 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.1954 0.1851
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0126 0.5
Loa Loa (eye worm) sema domain-containing protein 0.0052 0.1954 0.1851
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0126 0.5
Schistosoma mansoni hypothetical protein 0.0073 0.3682 0.2822
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0126 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.1954 0.1851
Loa Loa (eye worm) hypothetical protein 0.0052 0.1954 0.1851
Loa Loa (eye worm) plexin A 0.0148 1 1
Brugia malayi Sema domain containing protein 0.0052 0.1954 0.1851
Leishmania major hypothetical protein, conserved 0.003 0.0126 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0126 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.3682 0.3601
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0126 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.1954 0.1851
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0126 0.5
Echinococcus granulosus plexin a4 0.0148 1 1
Onchocerca volvulus 0.0125 0.8075 1
Schistosoma mansoni plexin 0.0073 0.3682 0.2822
Loa Loa (eye worm) sema domain-containing protein 0.0052 0.1954 0.1851

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

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.

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