Detailed information for compound 1710860

Basic information

Technical information
  • TDR Targets ID: 1710860
  • Name: 6-methyl-2-[(4-phenylsulfonylpiperazin-1-yl)m ethyl]-1,3-benzoxazole
  • MW: 371.453 | Formula: C19H21N3O3S
  • H donors: 0 H acceptors: 3 LogP: 2.62 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)oc(n2)CN1CCN(CC1)S(=O)(=O)c1ccccc1
  • InChi: 1S/C19H21N3O3S/c1-15-7-8-17-18(13-15)25-19(20-17)14-21-9-11-22(12-10-21)26(23,24)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
  • InChiKey: GJNYRTLBMRNKEH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-methyl-2-[(4-phenylsulfonyl-1-piperazinyl)methyl]-1,3-benzoxazole
  • G373-1507
  • NCGC00131106-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein 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) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
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
Toxoplasma gondii exonuclease III APE 0.0015 0 0.5
Brugia malayi TAR-binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.3622 0.3622
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0015 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0015 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0038 0.3622 0.3622
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0015 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0015 0 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0015 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.3622 0.3622
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.3622 0.3622
Trichomonas vaginalis ap endonuclease, putative 0.0015 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0015 0 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0015 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.3622 0.3622
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0015 0 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0015 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0038 0.3622 0.3622
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0015 0 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0015 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.3622 0.3622
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0015 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.3622 0.3622
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.3622 0.3622
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0015 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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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