Detailed information for compound 550333

Basic information

Technical information
  • TDR Targets ID: 550333
  • Name: 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethyl -propan-2-amine
  • MW: 431.613 | Formula: C17H21NO4S4
  • H donors: 0 H acceptors: 4 LogP: 3.08 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1)C
  • InChi: 1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
  • InChiKey: YFXPPSKYMBTNAV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,3-bis(benzenesulfonylthio)-N,N-dimethyl-2-propanamine
  • 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine
  • 17606-31-4
  • Bancol
  • BAS 00120149
  • bensultap
  • Bensultap [BSI:ISO]
  • Benzenesulfonic acid, thio-, S,S'-(2-(dimethylamino)trimethylene) ester
  • BRN 2228033
  • CHEBI:39188
  • dimethyl-[2-(phenylsulfonylthio)-1-[(phenylsulfonylthio)methyl]ethyl]amine
  • N,N-dimethyl-1,3-bis(phenylsulfonylsulfanyl)propan-2-amine
  • N,N-dimethyl-1,3-bis(phenylsulfonylthio)propan-2-amine
  • NCGC00160441-01
  • Nereistoxin dibenzenesulfonate
  • Ruban
  • S,S'-(2-(dimethylamino)-1,3-propanediyl)dibenzenesulfothioate
  • S,S'-(2-(Dimethylamino)-1,3-propanediyl) dibenzenesulfothioate
  • S,S'-(2-(Dimethylamino)trimethylene)bis(benzenethiosulfonate)
  • S,S'-2-Dimethylaminotrimethylene di(benzenethiosulfonate)
  • S,S'-2-Dimethylaminotrimethylene di(benzenethiosulphonate)
  • S,S'-[2-(dimethylamino)propane-1,3-diyl] dibenzenesulfonothioate
  • T0400-2368
  • Thiobenzenesulfonic acid S,S'-(2-(dimethylamino)trimethylene) ester
  • TI-1671
  • TI-78
  • Victenon
  • ZZ-Doricida
  • ZZ-Doricida Insecticide
  • [2-(besylthio)-1-[(besylthio)methyl]ethyl]-dimethyl-amine

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0021 0.0048
Plasmodium falciparum ataxin-2 like protein, putative 0.0075 0.0356 0.9382
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0203 0.1114 0.249
Brugia malayi vesicular acetylcholine transporter unc-17 0.0662 0.384 0.8584
Echinococcus multilocularis vesicular acetylcholine transporter 0.0662 0.384 0.384
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0456 0.1188
Loa Loa (eye worm) RNA binding protein 0.0061 0.0271 0.0607
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.0456 0.102
Echinococcus granulosus geminin 0.0169 0.0911 0.2372
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0456 0.1188
Trypanosoma brucei protein kinase, putative 0.005 0.0205 0.0459
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.0289 0.0754
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0456 0.0456
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0662 0.384 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0456 0.1188
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0021 0.0561
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.038 0.0988
Schistosoma mansoni ap endonuclease 0.0019 0.0021 0.0055
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0205 0.0966
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0205 0.5406
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.1924 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.0289 0.0289
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0166 0.0893 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0456 0.1188
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0166 0.0893 1
Schistosoma mansoni hypothetical protein 0.0034 0.0109 0.0284
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.0628 0.1404
Schistosoma mansoni hypothetical protein 0.0139 0.0732 0.1907
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0271 0.0607
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.007 0.1854
Schistosoma mansoni vesicular acetylcholine transporter 0.0662 0.384 1
Brugia malayi RNA binding protein 0.0061 0.0271 0.0607
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.038 1
Loa Loa (eye worm) hypothetical protein 0.0393 0.2242 0.501
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.1924 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0205 0.0459
Treponema pallidum fructose-bisphosphate aldolase 0.0339 0.1924 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.0289 0.0647
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.007 0.1854
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.1924 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0203 0.1114 0.249
Plasmodium falciparum ataxin-2 like protein, putative 0.0075 0.0356 0.9382
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0205 0.0459
Loa Loa (eye worm) hypothetical protein 0.049 0.282 0.6303
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.038 0.038
Brugia malayi Latrophilin receptor protein 2 0.0064 0.0289 0.0647
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.038 0.1883
Toxoplasma gondii LsmAD domain-containing protein 0.0075 0.0356 0.9382
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0205 0.0534
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.0109 0.0284
Toxoplasma gondii exonuclease III APE 0.0019 0.0021 0.0561
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.1924 1
Brugia malayi hypothetical protein 0.049 0.282 0.6303
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0271 0.0607
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0166 0.0893 1
Echinococcus multilocularis survival motor neuron protein 1 0.049 0.282 0.282
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0205 0.0205
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.0289 0.0647
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0768 0.4474 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0339 0.1924 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0768 0.4474 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0356 0.0796
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0205 0.0459
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0205 0.0966
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.01 0.0502 0.1122
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0205 0.0966
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0203 0.1114 0.249
Schistosoma mansoni hypothetical protein 0.0064 0.0289 0.0754
Schistosoma mansoni hypothetical protein 0.0169 0.0911 0.2372
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.038 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0217 0.0217
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0021 0.0055
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0662 0.384 0.8584
Schistosoma mansoni ap endonuclease 0.0019 0.0021 0.0055
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0339 0.1924 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.0289 0.0289
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0021 0.0048
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0205 0.0459
Brugia malayi Probable ClpP-like protease 0.0079 0.038 0.0849
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0456 0.1188
Echinococcus granulosus tar DNA binding protein 0.0061 0.0271 0.0707
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0339 0.1924 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.0456 0.102
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0021 0.0048
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0271 0.0707
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.038 0.0988
Trypanosoma brucei PAB1-binding protein , putative 0.0075 0.0356 0.0796
Trypanosoma cruzi PAB1-binding protein , putative 0.0075 0.0356 0.0796
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0021 0.0048
Schistosoma mansoni hypothetical protein 0.0169 0.0911 0.2372
Loa Loa (eye worm) hypothetical protein 0.0064 0.0289 0.0647
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.038 1
Brugia malayi TAR-binding protein 0.0061 0.0271 0.0607
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0217 0.2431
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0021 0.0048
Brugia malayi MH2 domain containing protein 0.0121 0.0628 0.1404
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0217 0.1783
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0205 0.0966
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.0289 0.0754
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.038 1
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0217 0.0565
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.1924 1
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0205 0.0534
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0271 0.0707
Loa Loa (eye worm) hypothetical protein 0.0079 0.038 0.0849
Brugia malayi MAP kinase sur-1 0.005 0.0205 0.0459
Brugia malayi hypothetical protein 0.0049 0.0197 0.0441
Trypanosoma cruzi PAB1-binding protein , putative 0.0075 0.0356 0.0796
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0205 0.0459
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0217 0.2431
Schistosoma mansoni hypothetical protein 0.0064 0.0289 0.0754
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.038 0.4111
Toxoplasma gondii hypothetical protein 0.0027 0.007 0.1854
Echinococcus granulosus GPCR family 2 0.0064 0.0289 0.0754
Schistosoma mansoni survival motor neuron protein 0.01 0.0502 0.1307
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0271 0.0707
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0205 0.0459
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0205 0.0205
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0271 0.0707
Schistosoma mansoni hypothetical protein 0.01 0.0502 0.1307
Brugia malayi latrophilin 2 splice variant baaae 0.0139 0.0732 0.1637
Brugia malayi Serotonin receptor 0.0511 0.2947 0.6587
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0768 0.4474 1
Loa Loa (eye worm) hypothetical protein 0.0768 0.4474 1
Schistosoma mansoni hypothetical protein 0.0064 0.0289 0.0754
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.038 0.3759
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.1924 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0271 0.0707
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.038 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0456 0.0456
Loa Loa (eye worm) hypothetical protein 0.0139 0.0732 0.1637
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.1924 1
Echinococcus multilocularis geminin 0.0169 0.0911 0.0911
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0205 0.0459
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.0628 0.1404
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0021 0.0239
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0021 0.0561
Echinococcus multilocularis GPCR, family 2 0.0064 0.0289 0.0289
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 0.1924 1
Plasmodium vivax ataxin-2 like protein, putative 0.0075 0.0356 0.9382
Brugia malayi hypothetical protein 0.0075 0.0356 0.0796
Schistosoma mansoni hypothetical protein 0.0064 0.0289 0.0754
Loa Loa (eye worm) hypothetical protein 0.0203 0.1114 0.249
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0271 0.0271
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0205 0.0534
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.007 0.0258
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.038 0.4111
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0205 0.0459
Leishmania major hypothetical protein, conserved 0.0075 0.0356 0.0796
Echinococcus granulosus survival motor neuron protein 1 0.049 0.282 0.7342
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.0109 0.0109
Echinococcus granulosus vesicular acetylcholine transporter 0.0662 0.384 1
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0205 0.0966
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0021 0.0048
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0021 0.0021
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.038 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.038 0.5
Leishmania major C-8 sterol isomerase-like protein 0.0768 0.4474 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0271 0.0607

Activities

No activities found for this compound.

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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