Detailed information for compound 1551343

Basic information

Technical information
  • TDR Targets ID: 1551343
  • Name: N,N-diethyl-4-fluorobenzenesulfonamide
  • MW: 231.287 | Formula: C10H14FNO2S
  • H donors: 0 H acceptors: 2 LogP: 1.9 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(S(=O)(=O)c1ccc(cc1)F)CC
  • InChi: 1S/C10H14FNO2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
  • InChiKey: RQOUFSQZCQYRKK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N,N-Diethyl-4-fluoro-benzenesulfonamide
  • SDCCGMLS-0006276.P002
  • MLS000058892
  • SMR000069461
  • ZINC00029554
  • BAS 00625917
  • ST042607
  • TimTec1_002896

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
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 mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
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
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Trypanosoma cruzi Heat shock protein 83, putative 0.0073 0.9273 1
Plasmodium vivax heat shock protein, putative 0.003 0.1307 0.141
Trichomonas vaginalis heat shock protein, putative 0.0058 0.6525 0.7036
Trypanosoma brucei heat shock protein, putative 0.0073 0.9273 1
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.6048 0.6048
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Schistosoma mansoni endoplasmin 0.0073 0.9273 0.9273
Echinococcus multilocularis heat shock protein 0.0073 0.9273 0.9273
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Plasmodium vivax endoplasmin, putative 0.0073 0.9273 1
Trichomonas vaginalis endoplasmin, putative 0.0045 0.4056 0.4374
Schistosoma mansoni heat shock protein 0.0073 0.9273 0.9273
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Trichomonas vaginalis heat shock protein, putative 0.0058 0.6525 0.7036
Trypanosoma cruzi heat shock protein 85, putative 0.0073 0.9273 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6048 0.6048
Echinococcus multilocularis heat shock protein 90 0.0058 0.6525 0.6525
Giardia lamblia Grp94/Hsp90 0.0058 0.6525 0.7036
Trichomonas vaginalis heat shock protein, putative 0.003 0.1307 0.141
Toxoplasma gondii heat shock protein HSP90 0.0073 0.9273 1
Toxoplasma gondii Hsp90 domain-containing protein 0.003 0.1307 0.141
Echinococcus granulosus heat shock protein 90 0.0058 0.6525 0.6525
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.003 0.1307 0.1307
Trypanosoma brucei heat shock protein, putative 0.0073 0.9273 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.6048 0.6048
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Schistosoma mansoni endoplasmin 0.0073 0.9273 0.9273
Toxoplasma gondii heat shock protein 90, putative 0.0073 0.9273 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.6048 0.6048
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0058 0.6525 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0058 0.6525 0.6525
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Plasmodium falciparum heat shock protein 90 0.0073 0.9273 1
Loa Loa (eye worm) heat shock protein 75 0.003 0.1307 0.1307
Trypanosoma brucei heat shock protein 84, putative 0.003 0.1307 0.141
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Trypanosoma cruzi heat shock protein 85, putative 0.0058 0.6525 0.7036
Loa Loa (eye worm) endoplasmin 0.0073 0.9273 0.9273
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0058 0.6525 1
Trypanosoma brucei heat shock protein, putative 0.0073 0.9273 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0058 0.6525 0.5
Echinococcus granulosus endoplasmin 0.0058 0.6525 0.6525
Trypanosoma cruzi heat shock protein 90, putative 0.0043 0.3743 0.4037
Brugia malayi heat shock protein 90 0.0073 0.9273 0.9273
Echinococcus multilocularis heat shock protein 90 0.0073 0.9273 0.9273
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Plasmodium falciparum heat shock protein 90, putative 0.003 0.1307 0.141
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Trypanosoma brucei Heat shock protein 83, putative 0.0073 0.9273 1
Trypanosoma brucei heat shock protein, putative 0.0073 0.9273 1
Trypanosoma cruzi heat shock protein, putative 0.003 0.1307 0.141
Trypanosoma brucei heat shock protein, putative 0.0073 0.9273 1
Trypanosoma cruzi heat shock protein 85, putative 0.0073 0.9273 1
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.003 0.1307 0.1307
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Trichomonas vaginalis heat shock protein, putative 0.0058 0.6525 0.7036
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Schistosoma mansoni heat shock protein 0.0073 0.9273 0.9273
Echinococcus granulosus heat shock protein 0.0073 0.9273 0.9273
Toxoplasma gondii heat shock protein 75, putative 0.003 0.1307 0.141
Schistosoma mansoni heat shock protein 0.003 0.1307 0.1307
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6048 0.6048
Trichomonas vaginalis heat shock protein, putative 0.0045 0.4056 0.4374
Plasmodium vivax heat shock protein 90, putative 0.003 0.1307 0.141
Trypanosoma brucei heat shock protein, putative 0.0073 0.9273 1
Trypanosoma cruzi heat shock protein 90, putative 0.0073 0.9273 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6048 0.6048
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.6048 0.6048
Trypanosoma brucei heat shock protein, putative 0.0073 0.9273 1
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Trypanosoma brucei heat shock protein, putative 0.0073 0.9273 1
Entamoeba histolytica heat shock protein 90, putative 0.0073 0.9273 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0058 0.6525 0.7036
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Brugia malayi TAR-binding protein 0.0076 1 1
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.003 0.1307 0.5
Brugia malayi Hsp90 protein 0.003 0.1307 0.1307
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Trypanosoma brucei heat shock protein 90, putative 0.0073 0.9273 1
Loa Loa (eye worm) heat shock protein 90 0.0073 0.9273 0.9273
Echinococcus multilocularis endoplasmin 0.0058 0.6525 0.6525
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Trypanosoma cruzi heat shock protein 85, putative 0.0073 0.9273 1
Plasmodium falciparum heat shock protein 90, putative 0.003 0.1307 0.141
Giardia lamblia Heat shock protein HSP 90-alpha 0.0073 0.9273 1
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Brugia malayi Endoplasmin precursor 0.0073 0.9273 0.9273
Trichomonas vaginalis heat shock protein, putative 0.0073 0.9273 1
Entamoeba histolytica 90 kDa heat shock protein, putative 0.003 0.1307 0.141
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.6048 0.6048
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.0058 0.6525 0.7036
Plasmodium vivax heat shock protein 86, putative 0.0073 0.9273 1
Echinococcus granulosus heat shock protein 90 0.0073 0.9273 0.9273
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0058 0.6525 0.7036
Leishmania major heat shock protein, putative 0.003 0.1307 0.141
Plasmodium falciparum endoplasmin, putative 0.0045 0.4056 0.4374
Treponema pallidum heat shock protein 90 0.0058 0.6525 1
Leishmania major heat shock protein 83-1 0.0073 0.9273 1
Entamoeba histolytica heat shock protein 90, putative 0.0073 0.9273 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.6048 0.6048
Mycobacterium ulcerans heat shock protein 90 0.0058 0.6525 1
Trypanosoma brucei heat shock protein 90, putative 0.0073 0.9273 1
Leishmania major heat shock protein 83-1 0.0073 0.9273 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) 1.5849 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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