Detailed information for compound 1675216

Basic information

Technical information
  • TDR Targets ID: 1675216
  • Name: 2-(hydroxymethyl)-N-[[3-(trifluoromethyl)phen yl]methyl]-1,3-benzothiazole-5-sulfonamide
  • MW: 402.411 | Formula: C16H13F3N2O3S2
  • H donors: 2 H acceptors: 4 LogP: 2.87 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1sc2c(n1)cc(cc2)S(=O)(=O)NCc1cccc(c1)C(F)(F)F
  • InChi: 1S/C16H13F3N2O3S2/c17-16(18,19)11-3-1-2-10(6-11)8-20-26(23,24)12-4-5-14-13(7-12)21-15(9-22)25-14/h1-7,20,22H,8-9H2
  • InChiKey: WLIYVHLXOVIGNS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methylol-N-[3-(trifluoromethyl)benzyl]-1,3-benzothiazole-5-sulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens transient receptor potential cation channel, subfamily V, member 1 Starlite/ChEMBL 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
Echinococcus multilocularis serotonin receptor 0.0135 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4111 0.4111
Schistosoma mansoni biogenic amine (5HT) receptor 0.0135 1 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.4111 0.4111
Brugia malayi RNA binding protein 0.0062 0.4111 1
Onchocerca volvulus 0.0012 0 0.5
Onchocerca volvulus 0.0012 0 0.5
Onchocerca volvulus 0.0012 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.4111 0.4111
Onchocerca volvulus 0.0012 0 0.5
Onchocerca volvulus 0.0012 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0062 0.4111 0.4111
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0012 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4111 0.4111
Onchocerca volvulus 0.0012 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0062 0.4111 0.4111
Onchocerca volvulus 0.0012 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4111 0.4111
Onchocerca volvulus 0.0012 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.4111 1
Onchocerca volvulus 0.0012 0 0.5
Onchocerca volvulus 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4111 0.4111
Onchocerca volvulus 0.0012 0 0.5
Onchocerca volvulus 0.0012 0 0.5
Onchocerca volvulus 0.0012 0 0.5
Onchocerca volvulus 0.0012 0 0.5
Echinococcus multilocularis serotonin receptor 0.0135 1 1
Onchocerca volvulus 0.0012 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0062 0.4111 0.4111
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0012 0 0.5
Onchocerca volvulus 0.0012 0 0.5
Brugia malayi TAR-binding protein 0.0062 0.4111 1
Onchocerca volvulus 0.0012 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4111 0.4111

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2871 nM Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay ChEMBL. 22939234

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

1 literature reference was collected for this gene.

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