Detailed information for compound 157719

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 184.302 | Formula: C9H16N2S
  • H donors: 1 H acceptors: 0 LogP: 0.94 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(C1CCCN1)N1CCCC1
  • InChi: 1S/C9H16N2S/c12-9(8-4-3-5-10-8)11-6-1-2-7-11/h8,10H,1-7H2
  • InChiKey: FJGIFFNQVAVZFF-UHFFFAOYSA-N  

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
Echinococcus granulosus proteasome prosome macropain 0.024 1 1
Toxoplasma gondii proteasome subunit beta type, putative 0.024 1 1
Trypanosoma brucei proteasome beta 6 subunit 0.0138 0.3284 0.3284
Plasmodium vivax proteasome subunit beta type-5, putative 0.024 1 1
Mycobacterium ulcerans proteasome PrcB 0.024 1 0.5
Trypanosoma brucei proteasome subunit beta type-5, putative 0.024 1 1
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0138 0.3284 0.3284
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0138 0.3284 0.3284
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.024 1 1
Brugia malayi proteasome subunit beta type 1 0.0138 0.3284 0.3284
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.024 1 1
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0138 0.3284 0.3284
Plasmodium vivax proteasome subunit beta type-1, putative 0.0138 0.3284 0.3284
Loa Loa (eye worm) proteasome subunit beta type 1 0.0138 0.3284 0.3284
Echinococcus multilocularis proteasome (prosome, macropain) 0.024 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.024 1 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.024 1 1
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0138 0.3284 0.3284
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0138 0.3284 0.3284
Plasmodium falciparum proteasome subunit beta type-5 0.024 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.024 1 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0138 0.3284 0.3284
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0138 0.3284 0.3284
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0138 0.3284 0.3284
Leishmania major proteasome beta 5 subunit, putative 0.024 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.024 1 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0138 0.3284 0.3284
Giardia lamblia Proteasome subunit beta type 1 0.0138 0.3284 0.3284
Mycobacterium leprae proteasome (beta subunit) PrcB 0.024 1 0.5
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0138 0.3284 0.3284
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.024 1 0.5
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.024 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 500 uM In vitro inhibition of porcine Dipeptidylpeptidase II. ChEMBL. 12270155
IC50 (binding) > 500 uM In vitro inhibition of human Dipeptidylpeptidase IV. ChEMBL. 12270155
IC50 (binding) > 500 uM In vitro inhibition of porcine Dipeptidylpeptidase II. ChEMBL. 12270155
IC50 (binding) > 500 uM In vitro inhibition of human Dipeptidylpeptidase IV. ChEMBL. 12270155
SI (binding) = 1 Selectivity for Dipeptidylpeptidase IV over Dipeptidylpeptidase II. ChEMBL. 12270155

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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