Detailed information for compound 27646

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 180.355 | Formula: C7H18NS2+
  • H donors: 1 H acceptors: 0 LogP: 1.27 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: SCC(CSC(C)(C)C)[NH3+]
  • InChi: 1S/C7H17NS2/c1-7(2,3)10-5-6(8)4-9/h6,9H,4-5,8H2,1-3H3/p+1
  • InChiKey: XGRFXFHALHYRDG-UHFFFAOYSA-O  

Network

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Synonyms

No synonyms found for this compound

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
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0042 0.0031 0.0035
Loa Loa (eye worm) hypothetical protein 0.0101 0.5841 0.6463
Toxoplasma gondii adenosylhomocysteinase, putative 0.0133 0.9021 0.5
Loa Loa (eye worm) hypothetical protein 0.0128 0.8538 0.9462
Entamoeba histolytica adenosylhomocysteinase, putative 0.0133 0.9021 1
Schistosoma mansoni adenosylhomocysteinase 0.0133 0.9021 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0116 0.7304 0.8089
Schistosoma mansoni adenosylhomocysteinase 0.0082 0.4009 0.4425
Schistosoma mansoni adenosylhomocysteinase 0.0082 0.4009 0.4425
Echinococcus multilocularis adenosylhomocysteinase 0.0133 0.9021 0.9018
Leishmania major S-adenosylhomocysteine hydrolase 0.0133 0.9021 1
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0133 0.9021 1
Schistosoma mansoni adenosylhomocysteinase 0.0082 0.4009 0.4425
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0133 0.9021 1
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0133 0.9021 1
Echinococcus multilocularis aminopeptidase N 0.0143 1 1
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0133 0.9021 1
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0133 0.9021 0.5
Echinococcus granulosus adenosylhomocysteinase 0.0133 0.9021 0.9018
Schistosoma mansoni adenosylhomocysteinase 0.0082 0.4009 0.4425
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0042 0.0031 0.0035
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0133 0.9021 0.5
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0133 0.9021 1
Brugia malayi Adenosylhomocysteinase 0.0133 0.9021 0.9018
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0133 0.9021 1
Plasmodium falciparum adenosylhomocysteinase 0.0133 0.9021 0.5
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0133 0.9021 0.5
Onchocerca volvulus 0.0143 1 1
Loa Loa (eye worm) adenosylhomocysteinase 0.0133 0.9021 1
Echinococcus granulosus aminopeptidase N 0.0143 1 1
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0133 0.9021 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 40 nM Inhibition of [3H]-Leu-enkephalin binding to Aminopeptidase N from hog kidney ChEMBL. 1348542

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.

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