Detailed information for compound 564274

Basic information

Technical information
  • TDR Targets ID: 564274
  • Name: trimethyl-[2-[2-(trimethylammonio)ethyldisulf anyl]ethyl]ammonium
  • MW: 238.457 | Formula: C10H26N2S2++
  • H donors: 0 H acceptors: 0 LogP: 1.02 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[N+](CCSSCC[N+](C)(C)C)(C)C
  • InChi: 1S/C10H26N2S2/c1-11(2,3)7-9-13-14-10-8-12(4,5)6/h7-10H2,1-6H3/q+2
  • InChiKey: ZZEBJTBRKQKJBO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • trimethyl-[2-[2-(trimethylazaniumyl)ethyldisulfanyl]ethyl]azanium
  • dithiobischoline
  • trimethyl-[2-(2-trimethylazaniumylethyldisulfanyl)ethyl]azanium
  • trimethyl-[2-(2-trimethylammonioethyldisulfanyl)ethyl]ammonium
  • 4468-11-5
  • Ethanaminium, 2,2'-dithiobis(N,N,N-trimethyl-
  • ZINC01748752
  • BAS 00170752
  • STOCK1S-65311

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 cruzi nucleobase transporter, putative 0.006 0.0102 0.1195
Onchocerca volvulus 0.0063 0.0108 0.0253
Echinococcus multilocularis survival motor neuron protein 1 0.0256 0.0577 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0049 0.0074 0.0847
Loa Loa (eye worm) hypothetical protein 0.006 0.0102 0.0999
Brugia malayi Nucleoside transporter family protein 0.006 0.0102 0.0939
Onchocerca volvulus 0.0148 0.0314 0.216
Loa Loa (eye worm) inositol-1 0.0038 0.0047 0.0458
Trypanosoma brucei adenosine transporter, putative 0.006 0.0102 0.0095
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.006 0.0102 0.082
Leishmania major nucleoside transporter 1, putative 0.006 0.0102 0.1195
Echinococcus granulosus single minded 2 0.0051 0.0079 0.1365
Brugia malayi PAS domain containing protein 0.0069 0.0122 0.1141
Trypanosoma cruzi nucleoside transporter-like, putative 0.006 0.0102 0.1195
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0047 0.0502
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0007 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0082 0.0743
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0007 0.0118
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0047 0.004
Echinococcus granulosus survival motor neuron protein 1 0.0256 0.0577 1
Toxoplasma gondii nucleoside transporter protein 0.006 0.0102 0.0095
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.006 0.01 0.1175
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.006 0.0102 0.0095
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0037 0.0768
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.006 0.0102 0.1764
Trypanosoma cruzi nucleobase transporter, putative 0.006 0.0102 0.1195
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0047 0.4197
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.006 0.0102 0.0095
Leishmania major nucleoside transporter 1, putative 0.006 0.0102 0.1195
Loa Loa (eye worm) hypothetical protein 0.0256 0.0577 0.5667
Entamoeba histolytica nucleoside transporter, putative 0.006 0.0102 1
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.006 0.0102 0.0199
Echinococcus multilocularis transfer RNA-Lys 0.0051 0.0079 0.1365
Schistosoma mansoni protein kinase 0.006 0.0102 0.2194
Trypanosoma brucei adenosine transporter 2, putative 0.006 0.0102 0.0095
Schistosoma mansoni aryl hydrocarbon receptor 0.0199 0.0439 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0148 0.0316 0.5475
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.0266 0.2609
Echinococcus granulosus equilibrative nucleoside transporter 0.006 0.0102 0.1764
Loa Loa (eye worm) hypothetical protein 0.013 0.0272 0.2677
Brugia malayi hypothetical protein 0.006 0.0102 0.0939
Trypanosoma cruzi nucleobase transporter, putative 0.006 0.0102 0.1195
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0108 0.2329
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0047 0.0344
Schistosoma mansoni hypothetical protein 0.0191 0.042 0.9562
Loa Loa (eye worm) hypothetical protein 0.006 0.0102 0.0999
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.006 0.0102 0.082
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0047 0.1011
Trypanosoma brucei nucleobase/nucleoside transporter 8.1 0.006 0.0102 0.0095
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0047 0.0344
Toxoplasma gondii nucleoside transporter protein 0.006 0.0102 0.0095
Brugia malayi Inositol-1 0.0038 0.0047 0.0394
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0074 0.0847
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.006 0.0102 0.082
Schistosoma mansoni eyes absent homolog 0.0101 0.0202 0.4512
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.006 0.0102 0.0095
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.006 0.0102 0.0095
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0037 0.5
Trypanosoma brucei nucleoside transporter 1, putative 0.006 0.0102 0.0095
Trypanosoma brucei nucleobase/nucleoside transporter 8.1 0.006 0.0102 0.0095
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0047 0.0344
Loa Loa (eye worm) hypothetical protein 0.0063 0.0108 0.1057
Trypanosoma cruzi nucleoside transporter 1, putative 0.006 0.0102 0.1195
Loa Loa (eye worm) hypothetical protein 0.006 0.0102 0.0999
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.006 0.0102 0.082
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0108 0.2329
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0047 1
Trypanosoma brucei adenosine transporter 2, putative 0.006 0.0102 0.0095
Brugia malayi MH2 domain containing protein 0.0128 0.0266 0.256
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0007 0.5
Trypanosoma brucei purine nucleoside transporter 0.006 0.0102 0.0095
Entamoeba histolytica nucleoside transporter, putative 0.006 0.0102 1
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0047 0.0809
Trypanosoma brucei adenosine transporter 2, putative 0.006 0.0102 0.0095
Leishmania major mitochondrial DNA polymerase beta 0.0348 0.0801 1
Echinococcus multilocularis geminin 0.0191 0.042 0.7289
Trypanosoma brucei adenosine transporter 2 0.006 0.0102 0.0095
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.006 0.0102 0.0095
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.006 0.0102 0.082
Giardia lamblia Hypothetical protein 0.006 0.0102 1
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.006 0.0102 0.082
Mycobacterium ulcerans putative regulatory protein 0.0051 0.0079 0.1826
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0047 0.0502
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0348 0.0801 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.0047 0.0921
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0074 0.0847
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0108 0.1865
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0165 0.0355 0.439
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0047 0.0809
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0165 0.0355 0.439
Schistosoma mansoni single-minded 0.0069 0.0122 0.2666
Trypanosoma cruzi nucleoside transporter 1, putative 0.006 0.0102 0.1195
Trypanosoma brucei adenosine transporter, putative 0.4129 1 1
Trypanosoma brucei unspecified product 0.006 0.0102 0.0095
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0108 0.0101
Mycobacterium tuberculosis Conserved hypothetical protein 0.0183 0.0401 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0007 0.0067
Plasmodium vivax SET domain protein, putative 0.0063 0.0108 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0165 0.0355 0.0349
Trypanosoma brucei adenosine transporter 2, putative 0.006 0.0102 0.0095
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.006 0.0102 0.082
Trypanosoma brucei nucleoside transporter 1, putative 0.006 0.0102 0.0095
Trypanosoma cruzi nucleoside transporter-like, putative 0.006 0.0102 0.1195
Brugia malayi Pre-SET motif family protein 0.0063 0.0108 0.0997
Trypanosoma brucei purine nucleoside transporter 0.006 0.0102 0.0095
Echinococcus granulosus equilibrative nucleoside transporter 3 0.006 0.0102 0.1764
Brugia malayi aryl hydrocarbon receptor AHR-1 0.013 0.0271 0.2613
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0102 0.1768
Loa Loa (eye worm) hypothetical protein 0.0101 0.0202 0.1984
Schistosoma mansoni hypothetical protein 0.0052 0.0082 0.1737
Trypanosoma brucei adenosine transporter 2 0.006 0.0102 0.0095
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0049 0.0074 0.0067
Onchocerca volvulus 0.0052 0.0082 0.0016
Echinococcus multilocularis equilibrative nucleoside transporter protein 0.006 0.0102 0.1764
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.006 0.0102 0.082
Echinococcus granulosus geminin 0.0191 0.042 0.7289
Schistosoma mansoni equilibrative nucleoside transporter 0.006 0.0102 0.2194
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0348 0.0801 0.0795
Schistosoma mansoni survival motor neuron protein 0.0052 0.0082 0.1737
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0047 0.004
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0007 0.0118
Trypanosoma cruzi nucleoside transporter 1, putative 0.006 0.0102 0.1195
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.006 0.0102 0.082
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0437 0.1018 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0348 0.0801 1
Trichomonas vaginalis set domain proteins, putative 0.0497 0.1164 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0108 0.2329
Onchocerca volvulus 0.0497 0.1164 1
Leishmania major nucleobase transporter 0.006 0.0102 0.1195
Loa Loa (eye worm) hypothetical protein 0.0101 0.0202 0.1984
Loa Loa (eye worm) hypothetical protein 0.0148 0.0314 0.3089
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.0266 0.2609
Leishmania major inosine-guanosine transporter;with=GeneDB:LinJ36_V3.2040 0.006 0.0102 0.1195
Trypanosoma brucei unspecified product 0.006 0.0102 0.0095
Trypanosoma brucei adenosine transporter 2, putative 0.006 0.0102 0.0095
Entamoeba histolytica nucleoside transporter, putative 0.006 0.0102 1
Leishmania major nucleobase transporter 0.006 0.0102 0.1195
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0108 0.1865
Brugia malayi hypothetical protein 0.0101 0.0202 0.1931
Brugia malayi Pre-SET motif family protein 0.0437 0.1018 1
Schistosoma mansoni hypothetical protein 0.0191 0.042 0.9562
Brugia malayi hypothetical protein 0.0256 0.0577 0.5638
Loa Loa (eye worm) hypothetical protein 0.013 0.0271 0.2663
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0047 0.0502
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.006 0.0102 0.0199
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0108 0.2329
Schistosoma mansoni inositol monophosphatase 0.0038 0.0047 0.0921
Loa Loa (eye worm) hypothetical protein 0.006 0.0102 0.0999
Mycobacterium ulcerans hypothetical protein 0.0183 0.0401 1
Toxoplasma gondii hypothetical protein 0.0056 0.0092 0.0085
Brugia malayi bHLH-PAS transcription factor 0.0051 0.0079 0.0712
Brugia malayi hypothetical protein 0.006 0.0102 0.0939
Echinococcus multilocularis aryl hydrocarbon receptor 0.0148 0.0316 0.5475
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0108 0.1865

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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