Detailed information for compound 1641550

Basic information

Technical information
  • TDR Targets ID: 1641550
  • Name: 2-[[2-(2-aminoethyldisulfanylmethyl)phenyl]me thyldisulfanyl]ethanamine
  • MW: 320.561 | Formula: C12H20N2S4
  • H donors: 2 H acceptors: 0 LogP: 1 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCSSCc1ccccc1CSSCCN
  • InChi: 1S/C12H20N2S4/c13-5-7-15-17-9-11-3-1-2-4-12(11)10-18-16-8-6-14/h1-4H,5-10,13-14H2
  • InChiKey: XFUFGTJDYMOIPD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-(2-aminoethyldisulfanylmethyl)benzyl]disulfanylethylamine
  • NCIMech_000328
  • 2-((2-(((2-Aminoethyl)dithio)methyl)benzyl)dithio)ethylamine hydrochloride
  • AIDS-156497
  • AIDS156497
  • NSC624169 (HYDROCHLORIDE SALT)
  • NCI60_007229

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
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1237 0.3312 0.3266
Trichomonas vaginalis conserved hypothetical protein 0.0515 0.1142 0.1142
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0252 0.0351 0.0323
Leishmania major hypothetical protein, conserved 0.0322 0.056 0.0275
Schistosoma mansoni hypothetical protein 0.0233 0.0293 0.0226
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1237 0.3312 0.3293
Entamoeba histolytica hypothetical protein 0.0672 0.1614 0.1486
Loa Loa (eye worm) phosphatidylinositol 3 0.0233 0.0293 0.0265
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1237 0.3312 0.3293
Entamoeba histolytica hypothetical protein 0.0233 0.0293 0.0145
Trichomonas vaginalis PIKK family atypical protein kinase 0.276 0.7896 0.7896
Toxoplasma gondii FATC domain-containing protein 0.0672 0.1614 0.1868
Trichomonas vaginalis PIKK family atypical protein kinase 0.3459 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1187 0.3164 0.3164
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0291 0.0469 0.0469
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.3459 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0291 0.0469 0.0323
Trichomonas vaginalis PIKK family atypical protein kinase 0.0672 0.1614 0.1614
Trichomonas vaginalis PIKK family atypical protein kinase 0.2068 0.5814 0.5814
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1187 0.3164 0.2958
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1237 0.3312 0.3293
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1237 0.3312 0.311
Loa Loa (eye worm) hypothetical protein 0.0748 0.1843 0.182
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.3459 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0312 0.0531 0.0387
Entamoeba histolytica hypothetical protein 0.0233 0.0293 0.0145
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0351 0.0649 0.0622
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0419 0.0852 0.0852
Trypanosoma brucei target of rapamycin kinase 3, putative 0.2763 0.7904 0.7841
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0252 0.0351 0.0082
Loa Loa (eye worm) hypothetical protein 0.0515 0.1142 0.1117
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0252 0.0351 0.0323
Trichomonas vaginalis PIKK family atypical protein kinase 0.2068 0.5814 0.5814
Loa Loa (eye worm) phosphatidylinositol 3 0.0548 0.1241 0.1216
Trichomonas vaginalis conserved hypothetical protein 0.0439 0.0913 0.0913
Entamoeba histolytica hypothetical protein 0.038 0.0734 0.0592
Trichomonas vaginalis PIKK family atypical protein kinase 0.1884 0.526 0.526
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0233 0.0293 0.0265
Trichomonas vaginalis PIKK family atypical protein kinase 0.2063 0.58 0.58
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0291 0.0469 0.0469
Trichomonas vaginalis PIKK family atypical protein kinase 0.2583 0.7365 0.7365
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.038 0.0734 0.0592
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.3459 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0252 0.0351 0.006
Trichomonas vaginalis PIKK family atypical protein kinase 0.1887 0.5269 0.5269
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0439 0.0913 0.0639
Echinococcus granulosus serine protein kinase ATM 0.0672 0.1614 0.159
Trichomonas vaginalis PIKK family atypical protein kinase 0.276 0.7896 0.7896
Loa Loa (eye worm) phosphatidylinositol 3 0.0233 0.0293 0.0265
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0672 0.1614 0.159
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0291 0.0469 0.0403
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0419 0.0852 0.0575
Loa Loa (eye worm) hypothetical protein 0.0233 0.0293 0.0265
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0672 0.1614 0.159
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0233 0.0293 0.0226
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0587 0.1359 0.1334
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0252 0.0351 0.0284
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0291 0.0469 0.0323
Trichomonas vaginalis PIKK family atypical protein kinase 0.276 0.7896 0.7896
Trichomonas vaginalis PIKK family atypical protein kinase 0.1887 0.5269 0.5269
Schistosoma mansoni fkbp-rapamycin associated protein 0.0672 0.1614 0.1556
Trichomonas vaginalis PIKK family atypical protein kinase 0.1198 0.3196 0.3196
Leishmania major phosphatidylinositol 3-kinase, putative 0.0252 0.0351 0.006
Giardia lamblia GTOR 0.3459 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0291 0.0469 0.0469
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0233 0.0293 0.0265
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0483 0.1046 0.102
Toxoplasma gondii target of rapamycin (TOR), putative 0.2583 0.7365 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1887 0.5269 0.5269
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0672 0.1614 0.159
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0233 0.0293 0.0293
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0672 0.1614 0.1361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.0293 0.0293
Onchocerca volvulus 0.0233 0.0293 0.5
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0351 0.0649 0.0622
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0419 0.0852 0.0852
Trichomonas vaginalis PIKK family atypical protein kinase 0.276 0.7896 0.7896
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0233 0.0293 0.0265
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0252 0.0351 0.006
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.1629 0.4493 0.4327
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0252 0.0351 0.0284
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0252 0.0351 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.2944 0.845 0.845
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1198 0.3196 0.299
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0252 0.0351 0.006
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0252 0.0351 0.0323
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.3459 1 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0272 0.0411 0.0121
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.3459 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.3459 1 1
Loa Loa (eye worm) hypothetical protein 0.0672 0.1614 0.159
Loa Loa (eye worm) phosphatidylinositol 3 0.1198 0.3196 0.3176
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0291 0.0469 0.0441
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0359 0.0671 0.0671
Trichomonas vaginalis PIKK family atypical protein kinase 0.1187 0.3164 0.3164
Schistosoma mansoni hypothetical protein 0.0515 0.1142 0.1081
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0252 0.0351 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0233 0.0293 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0439 0.0913 0.0913
Loa Loa (eye worm) hypothetical protein 0.0697 0.1688 0.1664
Trichomonas vaginalis PIKK family atypical protein kinase 0.2245 0.6346 0.6346
Trichomonas vaginalis PIKK family atypical protein kinase 0.2063 0.58 0.58
Trichomonas vaginalis PIKK family atypical protein kinase 0.093 0.2389 0.2389
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0252 0.0351 0.0351
Onchocerca volvulus 0.0233 0.0293 0.5
Echinococcus multilocularis 0.0233 0.0293 0.0265
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0252 0.0351 0.0323
Leishmania major phosphatidylinositol 3-kinase, putative 0.1187 0.3164 0.2958
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.3459 1 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0515 0.1142 0.1117
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0252 0.0351 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.3459 1 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0233 0.0293 0.0265
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0291 0.0469 0.0181
Trichomonas vaginalis PIKK family atypical protein kinase 0.1187 0.3164 0.3164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0683 0.1646 0.1646
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0515 0.1142 0.1117
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0252 0.0351 0.0204
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0359 0.0671 0.0671
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.1448 0.3948 0.3765
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.0293 0.0293
Trichomonas vaginalis PIKK family atypical protein kinase 0.1887 0.5269 0.5269
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0168 0.0099 0.007
Trichomonas vaginalis PIKK family atypical protein kinase 0.276 0.7896 0.7896
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0483 0.1046 0.102
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0233 0.0293 0.0293
Mycobacterium leprae conserved hypothetical protein 0.0233 0.0293 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.3459 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0233 0.0293 0.0265
Trichomonas vaginalis PIKK family atypical protein kinase 0.1884 0.526 0.526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0672 0.1614 0.1614
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1198 0.3196 0.299
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0672 0.1614 0.1361
Loa Loa (eye worm) phosphatidylinositol 3 0.0233 0.0293 0.0265
Trichomonas vaginalis PIKK family atypical protein kinase 0.1187 0.3164 0.3164
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0252 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0439 0.0913 0.0887
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0672 0.1614 0.1556
Trichomonas vaginalis PIKK family atypical protein kinase 0.2583 0.7365 0.7365
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0252 0.0351 0.0204
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.032 0.0554 0.0269
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0419 0.0852 0.0852
Loa Loa (eye worm) hypothetical protein 0.0351 0.0649 0.0622
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0672 0.1614 0.159
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0672 0.1614 0.1361
Trichomonas vaginalis PIKK family atypical protein kinase 0.2583 0.7365 0.7365
Trichomonas vaginalis PIKK family atypical protein kinase 0.2321 0.6575 0.6575
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0587 0.1359 0.1334
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.2763 0.7904 0.7841
Trichomonas vaginalis PIKK family atypical protein kinase 0.2583 0.7365 0.7365
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.3459 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3459 1 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0233 0.0293 0.0265
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0291 0.0469 0.0181
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0351 0.0649 0.0622
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0233 0.0293 0.0265
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0683 0.1646 0.1518
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0419 0.0852 0.0575
Loa Loa (eye worm) phosphatidylinositol kinase 0.0233 0.0293 0.0265
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0233 0.0293 0.0226
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0587 0.1359 0.1299
Trichomonas vaginalis conserved hypothetical protein 0.0748 0.1843 0.1843
Loa Loa (eye worm) phosphatidylinositol 3 0.3459 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0748 0.1843 0.2192
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.3459 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.2763 0.7904 0.7841
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0419 0.0852 0.0825
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0233 0.0293 0.0226
Brugia malayi FAT domain containing protein 0.0515 0.1142 0.1117
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0419 0.0852 0.0712
Entamoeba histolytica protein kinase rad3, putative 0.0672 0.1614 0.1486
Echinococcus multilocularis serine protein kinase ATM 0.0672 0.1614 0.159
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0233 0.0293 0.0145
Trichomonas vaginalis PIKK family atypical protein kinase 0.2583 0.7365 0.7365
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1237 0.3312 0.311
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0252 0.0351 0.0351
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.3459 1 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0233 0.0293 0.0265
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0252 0.0351 0.006
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0252 0.0351 0.0323
Echinococcus multilocularis Zinc finger, PHD finger 0.0252 0.0351 0.0323
Trichomonas vaginalis PIKK family atypical protein kinase 0.2583 0.7365 0.7365
Loa Loa (eye worm) phosphatidylinositol 3 0.0233 0.0293 0.0265
Trichomonas vaginalis PIKK family atypical protein kinase 0.1884 0.526 0.526
Entamoeba histolytica hypothetical protein 0.0233 0.0293 0.0145
Trichomonas vaginalis PIKK family atypical protein kinase 0.2068 0.5814 0.5814
Trichomonas vaginalis PIKK family atypical protein kinase 0.2583 0.7365 0.7365

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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