Detailed information for compound 1394873

Basic information

Technical information
  • TDR Targets ID: 1394873
  • Name: N-butyl-N-ethylbenzenesulfonamide
  • MW: 241.35 | Formula: C12H19NO2S
  • H donors: 0 H acceptors: 2 LogP: 2.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(S(=O)(=O)c1ccccc1)CC
  • InChi: 1S/C12H19NO2S/c1-3-5-11-13(4-2)16(14,15)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3
  • InChiKey: GIRKPTKJCDEFLW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-butyl-N-ethyl-benzenesulfonamide
  • ZINC02743481
  • SMR000135936
  • MLS000530958

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0833 0.0833
Onchocerca volvulus 0.0099 1 1
Onchocerca volvulus 0.0099 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.3182 0.2562
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0099 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.3182 0.2562
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0833 0.0833
Trypanosoma cruzi cruzipain precursor, putative 0.0099 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0099 1 1
Echinococcus multilocularis cysteine protease 0.0099 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0833 0.0833
Loa Loa (eye worm) fibroinase 0.0099 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0099 1 1
Brugia malayi Cathepsin L-like precursor 0.0067 0.3182 0.3182
Onchocerca volvulus Cathepsin L homolog 0.0099 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0833 0.0833
Echinococcus granulosus cathepsin l cysteine peptidase 0.0099 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0099 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0067 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0099 1 1
Leishmania major cathepsin L-like protease 0.0099 1 0.5
Onchocerca volvulus Cathepsin L homolog 0.0099 1 1
Echinococcus granulosus cathepsin l1 0.0067 0.3182 0.3182
Brugia malayi Papain family cysteine protease containing protein 0.0099 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0099 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0099 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0099 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0099 1 1
Brugia malayi Cathepsin L-like precursor 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.3182 0.3182
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0067 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 1 1
Leishmania major cathepsin L-like protease 0.0099 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0099 1 1
Loa Loa (eye worm) cysteine protease 0.0099 1 1
Onchocerca volvulus 0.0099 1 1
Brugia malayi Cathepsin L-like precursor 0.0099 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0067 0.3182 0.3182
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0833 0.0833
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0099 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0099 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0099 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0099 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0099 1 1
Onchocerca volvulus 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 1 1
Onchocerca volvulus 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0099 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0833 0.0833
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0099 1 1
Plasmodium vivax vivapain-2 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 1 1
Onchocerca volvulus Cathepsin F homolog 0.0099 1 1
Leishmania major cathepsin L-like protease 0.0099 1 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0099 1 1
Plasmodium vivax vivapain-2 0.0099 1 1
Brugia malayi Cathepsin L-like precursor 0.0099 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0099 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0099 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0833 0.0833
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0099 1 1
Onchocerca volvulus 0.0099 1 1
Leishmania major cathepsin L-like protease 0.0099 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.3182 0.2562
Entamoeba histolytica cysteine proteinase, putative 0.0067 0.3182 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0099 1 1
Leishmania major cathepsin L-like protease 0.0099 1 0.5
Plasmodium falciparum cysteine proteinase falcipain 3 0.0099 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0099 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0099 1 1
Leishmania major cysteine peptidase A (CPA) 0.0099 1 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0099 1 1
Brugia malayi Cathepsin L-like precursor 0.0067 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0099 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0099 1 1
Echinococcus multilocularis cysteine protease 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 1 1
Leishmania major cathepsin L-like protease 0.0099 1 0.5
Loa Loa (eye worm) ctsf protein 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0099 1 1
Brugia malayi Cathepsin L-like precursor 0.0099 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0099 1 1
Echinococcus granulosus cathepsin l1 0.0099 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0099 1 1
Leishmania major cathepsin L-like protease 0.0099 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0099 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.3182 0.3182
Brugia malayi Cathepsin L-like precursor 0.0099 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0833 0.0833
Leishmania major cathepsin L-like protease 0.0099 1 0.5
Echinococcus granulosus cathepsin L cysteine proteinase 0.0099 1 1
Brugia malayi cathepsin L-like precursor 0.0067 0.3182 0.3182
Entamoeba histolytica cysteine protease, putative 0.0099 1 1
Toxoplasma gondii cathepsin CPL 0.0099 1 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0099 1 1
Onchocerca volvulus 0.0099 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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