Detailed information for compound 34657

Basic information

Technical information
  • TDR Targets ID: 34657
  • Name: 6-amino-2-sulfanylhexanoic acid
  • MW: 163.238 | Formula: C6H13NO2S
  • H donors: 2 H acceptors: 2 LogP: -2.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCCC(C(=O)O)S
  • InChi: 1S/C6H13NO2S/c7-4-2-1-3-5(10)6(8)9/h5,10H,1-4,7H2,(H,8,9)
  • InChiKey: JNQDJHCXDRGZJD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-amino-2-sulfanyl-hexanoic acid
  • 6-amino-2-mercaptohexanoic acid
  • 6-azanyl-2-sulfanyl-hexanoic acid
  • 6-amino-2-mercapto-hexanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arginyl aminopeptidase (aminopeptidase B) Starlite/ChEMBL References

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 cercarial elastase (S01 family) 0.016 0.0306 0.0306
Plasmodium falciparum eukaryotic initiation factor 4A 0.0683 1 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.016 0.0306 0.0306
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0683 1 0.5
Loa Loa (eye worm) trypsin family protein 0.016 0.0306 0.0306
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0683 1 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.016 0.0306 0.0306
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.016 0.0306 0.0306
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0683 1 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0683 1 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0683 1 1
Loa Loa (eye worm) hypothetical protein 0.0683 1 1
Echinococcus multilocularis glycoprotein Antigen 5 0.016 0.0306 0.0306
Mycobacterium ulcerans hypothetical protein 0.016 0.0306 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.016 0.0306 0.0306
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0683 1 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0174 0.058 0.058
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.016 0.0306 0.0306
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0683 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.016 0.0306 0.0306
Echinococcus granulosus Mastin 0.016 0.0306 0.0306
Schistosoma mansoni cercarial elastase (S01 family) 0.016 0.0306 0.0306
Echinococcus granulosus transmembrane protease serine 3 0.016 0.0306 0.0306
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0683 1 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0683 1 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.016 0.0306 0.0306
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0683 1 0.5
Plasmodium vivax RNA helicase-1, putative 0.0683 1 0.5
Loa Loa (eye worm) hypothetical protein 0.016 0.0306 0.0306
Schistosoma mansoni cercarial elastase (S01 family) 0.016 0.0306 0.0306
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0683 1 0.5
Loa Loa (eye worm) hypothetical protein 0.016 0.0306 0.0306
Echinococcus multilocularis Mastin 0.016 0.0306 0.0306
Schistosoma mansoni hypothetical protein 0.016 0.0306 0.0306
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.016 0.0306 0.0306
Treponema pallidum ATP-dependent RNA helicase 0.0683 1 0.5
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0683 1 0.5
Loa Loa (eye worm) hypothetical protein 0.016 0.0306 0.0306
Echinococcus granulosus enteropeptidase 0.016 0.0306 0.0306
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.016 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.016 0.0306 0.0306
Schistosoma mansoni cercarial elastase (S01 family) 0.016 0.0306 0.0306
Schistosoma mansoni cercarial elastase (S01 family) 0.016 0.0306 0.0306
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0683 1 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.016 0.0306 0.0306
Leishmania major eukaryotic initiation factor 4a, putative 0.0683 1 0.5
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0683 1 1
Echinococcus multilocularis transmembrane protease serine 3 0.016 0.0306 0.0306
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.016 0.0306 0.0306
Echinococcus multilocularis enteropeptidase 0.016 0.0306 0.0306
Schistosoma mansoni hypothetical protein 0.016 0.0306 0.0306
Echinococcus granulosus glycoprotein Antigen 5 0.016 0.0306 0.0306
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0683 1 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0683 1 0.5
Echinococcus granulosus eukaryotic initiation factor 4A 0.0683 1 1
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.016 0.0306 0.0306
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.016 0.0306 0.0306
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.016 0.0306 0.0306
Schistosoma mansoni cercarial elastase (S01 family) 0.016 0.0306 0.0306
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.016 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.016 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.016 0.0306 0.0306
Schistosoma mansoni cercarial elastase (S01 family) 0.016 0.0306 0.0306
Leishmania major eukaryotic initiation factor 4a, putative 0.0683 1 0.5
Loa Loa (eye worm) hypothetical protein 0.016 0.0306 0.0306

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.9 nM Inhibition of arginylaminopeptidase (aminopeptidase B) ChEMBL. 7909847
Ki (binding) = 0.9 nM Inhibition of arginylaminopeptidase (aminopeptidase B) ChEMBL. 7909847

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.