Detailed information for compound 368124

Basic information

Technical information
  • TDR Targets ID: 368124
  • Name: N-[3-(aminomethyl)phenyl]benzenesulfonamide
  • MW: 262.327 | Formula: C13H14N2O2S
  • H donors: 2 H acceptors: 2 LogP: 1.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCc1cccc(c1)NS(=O)(=O)c1ccccc1
  • InChi: 1S/C13H14N2O2S/c14-10-11-5-4-6-12(9-11)15-18(16,17)13-7-2-1-3-8-13/h1-9,15H,10,14H2
  • InChiKey: RMWBQRLIFOIUFM-UHFFFAOYSA-N  

Network

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Synonyms

  • BBV-012808

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Get druggable targets OG5_145685 All targets in OG5_145685
Echinococcus granulosus tm gpcr rhodopsin Get druggable targets OG5_145685 All targets in OG5_145685

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
Loa Loa (eye worm) hypothetical protein 0.0126 0.0526 0.5
Brugia malayi O-methyltransferase 0.0126 0.0526 0.5
Schistosoma mansoni o-methyltransferase 0.0126 0.0526 1
Brugia malayi O-methyltransferase family protein 0.0126 0.0526 0.5
Onchocerca volvulus 0.0126 0.0526 0.5
Onchocerca volvulus 0.0126 0.0526 0.5
Schistosoma mansoni o-methyltransferase 0.0126 0.0526 1
Schistosoma mansoni o-methyltransferase 0.0126 0.0526 1
Wolbachia endosymbiont of Brugia malayi O-methyltransferase 0.0126 0.0526 0.5
Brugia malayi O-methyltransferase family protein 0.0126 0.0526 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.1003 0.8137 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1003 0.8137 1
Mycobacterium leprae PROBABLE METHYLTRANSFERASE 0.0126 0.0526 0.5
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.1091 0.8903 1
Schistosoma mansoni o-methyltransferase 0.0126 0.0526 1
Loa Loa (eye worm) O-methyltransferase 0.0126 0.0526 0.5
Brugia malayi O-methyltransferase family protein 0.0126 0.0526 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 290 nM Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay ChEMBL. 16913710
Ki (binding) = 290 nM Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay ChEMBL. 16913710

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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