Detailed information for compound 34445

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 166.262 | Formula: C5H10O2S2
  • H donors: 1 H acceptors: 2 LogP: 1.15 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSCCC(C(=O)O)S
  • InChi: 1S/C5H10O2S2/c1-9-3-2-4(8)5(6)7/h4,8H,2-3H2,1H3,(H,6,7)
  • InChiKey: JQFCHNQFJRJNTL-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Plasmodium falciparum plasmepsin II 0.0191 0.1442 0.345
Trichomonas vaginalis N-myristoyl transferase, putative 0.0188 0.1399 0.9513
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0191 0.1442 1
Schistosoma mansoni hypothetical protein 0.0173 0.1203 0.1203
Echinococcus multilocularis geminin 0.0173 0.1203 0.6161
Toxoplasma gondii aspartyl protease ASP3 0.0402 0.418 1
Trypanosoma brucei N-myristoyltransferase 0.0188 0.1399 0.5
Giardia lamblia CDC72 0.0188 0.1399 0.5
Plasmodium vivax aspartyl protease, putative 0.0402 0.418 1
Echinococcus granulosus geminin 0.0173 0.1203 0.6161
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0188 0.1399 0.9313
Brugia malayi hypothetical protein 0.0128 0.0627 0.4478
Trypanosoma brucei N-myristoyl transferase, putative 0.0188 0.1399 0.5
Onchocerca volvulus 0.008 0 0.5
Loa Loa (eye worm) N-myristoyltransferase 2 0.0188 0.1399 0.9703
Schistosoma mansoni hypothetical protein 0.0173 0.1203 0.1203
Schistosoma mansoni cathepsin D (A01 family) 0.085 1 1
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0188 0.1399 0.3348
Plasmodium falciparum plasmepsin X 0.0402 0.418 1
Plasmodium falciparum plasmepsin IV 0.0191 0.1442 0.345
Plasmodium falciparum plasmepsin IX 0.0402 0.418 1
Plasmodium vivax aspartyl protease, putative 0.0402 0.418 1
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0191 0.1442 0.345
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0143 0.0819 0.0819
Leishmania major N-myristoyl transferase, putative 0.0188 0.1399 0.5
Toxoplasma gondii aspartyl protease ASP1 0.0191 0.1442 0.345
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0191 0.1442 0.1442
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0191 0.1442 1
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0188 0.1399 0.9313
Plasmodium vivax aspartyl proteinase, putative 0.0191 0.1442 0.345
Brugia malayi N-myristoyltransferase 2 0.0188 0.1399 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0191 0.1442 1
Plasmodium falciparum plasmepsin VI 0.0191 0.1442 0.345
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0188 0.1399 0.5
Schistosoma mansoni N-myristoyltransferase 0.0188 0.1399 0.1399
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0188 0.1399 0.3348
Plasmodium vivax plasmepsin IV, putative 0.0191 0.1442 0.345
Trypanosoma cruzi N-myristoyl transferase, putative 0.0188 0.1399 0.5
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0191 0.1442 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0143 0.0819 0.568
Loa Loa (eye worm) hypothetical protein 0.0191 0.1442 1
Onchocerca volvulus 0.008 0 0.5
Plasmodium falciparum plasmepsin I 0.0191 0.1442 0.345
Trypanosoma cruzi N-myristoyl transferase, putative 0.0188 0.1399 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 11 nM Inhibition of arginylaminopeptidase (aminopeptidase B) ChEMBL. 7909847
Ki (binding) = 11 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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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