Detailed information for compound 906211

Basic information

Technical information
  • TDR Targets ID: 906211
  • Name: N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-yle thyl]-4-methylbenzenesulfonamide
  • MW: 404.48 | Formula: C20H24N2O5S
  • H donors: 1 H acceptors: 2 LogP: 2.26 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)NCC(c1ccc2c(c1)OCO2)N1CCOCC1
  • InChi: 1S/C20H24N2O5S/c1-15-2-5-17(6-3-15)28(23,24)21-13-18(22-8-10-25-11-9-22)16-4-7-19-20(12-16)27-14-26-19/h2-7,12,18,21H,8-11,13-14H2,1H3
  • InChiKey: QNCPIQNEYVDNBX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-4-methyl-benzenesulfonamide
  • N-[2-(1,3-benzodioxol-5-yl)-2-morpholinoethyl]-4-methylbenzenesulfonamide
  • N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-ethyl]-4-methyl-benzenesulfonamide

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
Leishmania major delta-4 fatty acid desaturase 0.0244 0.0716 0.0716
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0244 0.0716 0.5
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0244 0.0716 0.0716
Leishmania major fatty acid desaturase, putative 0.0244 0.0716 0.0716
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0244 0.0716 0.0716
Trypanosoma brucei delta-4 fatty acid desaturase 0.0244 0.0716 0.0716
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0244 0.0716 1
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0244 0.0716 0.0716
Mycobacterium ulcerans electron transfer protein FdxB 0.0244 0.0716 0.5
Brugia malayi acyl-CoA desaturase 0.2773 0.9182 1
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0244 0.0716 0.5
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0244 0.0716 0.5
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0244 0.0716 0.0716
Loa Loa (eye worm) acyl-CoA desaturase 0.2773 0.9182 1
Loa Loa (eye worm) FAT-3 protein 0.0244 0.0716 0.0779
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0244 0.0716 0.0716
Schistosoma mansoni fatty acid desaturase 0.0244 0.0716 0.5
Loa Loa (eye worm) hypothetical protein 0.0244 0.0716 0.0779
Leishmania major fatty acid desaturase, putative 0.0244 0.0716 0.0716
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0244 0.0716 0.5
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0244 0.0716 0.0716
Mycobacterium tuberculosis Probable conserved membrane protein 0.0244 0.0716 0.5
Leishmania major fatty-acid desaturase, putative 0.3017 1 1
Leishmania major delta-12 fatty acid desaturase 0.0244 0.0716 0.0716
Onchocerca volvulus 0.3017 1 1
Leishmania major delta-6 fatty acid desaturase 0.0244 0.0716 0.0716
Trypanosoma cruzi fatty acid desaturase, putative 0.0244 0.0716 0.0716
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0244 0.0716 0.0716
Mycobacterium ulcerans hypothetical protein 0.0244 0.0716 0.5
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0244 0.0716 0.0716
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0244 0.0716 0.5
Leishmania major delta-5 fatty acid desaturase 0.0244 0.0716 0.0716
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0244 0.0716 0.5
Loa Loa (eye worm) fatty acid desaturase 0.0244 0.0716 0.0779
Onchocerca volvulus 0.3017 1 1
Brugia malayi Delta5 fatty acid desaturase 0.0244 0.0716 0.0779
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0244 0.0716 0.0716
Brugia malayi Fatty acid desaturase family protein 0.0244 0.0716 0.0779
Mycobacterium ulcerans hypothetical protein 0.0244 0.0716 0.5
Plasmodium falciparum stearoyl-CoA desaturase 0.2773 0.9182 1
Brugia malayi Fatty acid desaturase family protein 0.0244 0.0716 0.0779
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0244 0.0716 0.5
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0244 0.0716 0.0716
Trypanosoma cruzi fatty acid desaturase, putative 0.0244 0.0716 0.0716
Loa Loa (eye worm) fatty acid desaturase 0.0244 0.0716 0.0779
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0244 0.0716 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.2773 0.9182 0.9182
Echinococcus granulosus Fatty acid desaturase type 1 0.0244 0.0716 0.5
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0244 0.0716 0.0716
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0244 0.0716 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.2773 0.9182 0.9182
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0244 0.0716 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.3017 1 1
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.2773 0.9182 1
Trypanosoma brucei fatty acid desaturase, putative 0.3017 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3981 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) 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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