Detailed information for compound 1539734

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 294.78 | Formula: C12H7ClN2OS2
  • H donors: 1 H acceptors: 2 LogP: 3.86 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)sc(n2)NC(=O)c1cscc1
  • InChi: 1S/C12H7ClN2OS2/c13-8-1-2-9-10(5-8)18-12(14-9)15-11(16)7-3-4-17-6-7/h1-6H,(H,14,15,16)
  • InChiKey: OEDQBYNDANPZDQ-UHFFFAOYSA-N  


Substructure search Similarity search

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 SUMO1/sentrin specific peptidase 6 Starlite/ChEMBL No references
Homo sapiens SUMO1/sentrin specific peptidase 7 Starlite/ChEMBL No references
Homo sapiens SUMO/sentrin specific peptidase family member 8 Starlite/ChEMBL No references
Homo sapiens caspase 3, apoptosis-related cysteine peptidase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_131076 All targets in OG5_131076
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_129942 All targets in OG5_129942
Schistosoma japonicum ko:K04397 caspase 7, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Trichomonas vaginalis Sentrin-specific protease, putative Get druggable targets OG5_129942 All targets in OG5_129942
Loa Loa (eye worm) Ulp1 protease Get druggable targets OG5_129942 All targets in OG5_129942
Echinococcus multilocularis sentrin specific protease 7 Get druggable targets OG5_131076 All targets in OG5_131076
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_131076 All targets in OG5_131076
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_129942 All targets in OG5_129942
Echinococcus multilocularis caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_129942 All targets in OG5_129942
Schistosoma mansoni caspase-7 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Candida albicans one of three potential ubiquitin-like protein-specific protease genes Get druggable targets OG5_129942 All targets in OG5_129942
Echinococcus multilocularis sentrin specific protease 8 Get druggable targets OG5_129942 All targets in OG5_129942
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Neospora caninum hypothetical protein Get druggable targets OG5_129942 All targets in OG5_129942
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_129942 All targets in OG5_129942
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_129942 All targets in OG5_129942
Schistosoma japonicum ko:K08597 sentrin-specific protease 8, putative Get druggable targets OG5_129942 All targets in OG5_129942
Candida albicans one of three potential ubiquitin-like protein-specific protease genes Get druggable targets OG5_129942 All targets in OG5_129942
Trypanosoma cruzi hypothetical protein Get druggable targets OG5_129942 All targets in OG5_129942
Echinococcus granulosus caspase Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus sentrin specific protease 8 Get druggable targets OG5_129942 All targets in OG5_129942
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_131076 All targets in OG5_131076
Schistosoma japonicum ko:K02187 caspase 3, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_129942 All targets in OG5_129942
Schistosoma mansoni caspase-3 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Schistosoma japonicum ko:K08596 sentrin-specific protease 7, putative Get druggable targets OG5_131076 All targets in OG5_131076
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_131076 All targets in OG5_131076
Echinococcus granulosus caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus multilocularis caspase Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus sentrin specific protease 7 Get druggable targets OG5_131076 All targets in OG5_131076
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum sentrin-specific protease 1 SUMO/sentrin specific peptidase family member 8 212 aa 197 aa 23.4 %
Brugia malayi Cell death protein 3 precursor caspase 3, apoptosis-related cysteine peptidase 277 aa 253 aa 38.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni caspase-3 (C14 family) 0.012 0.2633 0.0868
Echinococcus granulosus sentrin specific protease 8 0.0111 0.1933 0.1933
Trichomonas vaginalis Sentrin-specific protease, putative 0.0111 0.1933 0.5
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.012 0.2633 0.2633
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0111 0.1933 0.5
Echinococcus granulosus expressed conserved protein 0.0163 0.616 0.616
Schistosoma mansoni caspase-7 (C14 family) 0.012 0.2633 0.0868
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0111 0.1933 0.5
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.012 0.2633 0.2633
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.021 1 1
Echinococcus multilocularis sentrin specific protease 8 0.0111 0.1933 0.1933
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.021 1 1
Echinococcus multilocularis sentrin specific protease 7 0.021 1 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0111 0.1933 0.5
Echinococcus multilocularis expressed conserved protein 0.0163 0.616 0.616
Echinococcus multilocularis caspase 0.012 0.2633 0.2633
Echinococcus granulosus caspase 0.012 0.2633 0.2633
Trypanosoma cruzi hypothetical protein 0.0111 0.1933 0.5
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0111 0.1933 0.5
Loa Loa (eye worm) Ulp1 protease 0.0111 0.1933 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.83 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 6 (SENP6) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2582, AID2599] ChEMBL. No reference
IC50 (functional) = 0.83 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 8 (SENP8) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2575] ChEMBL. No reference
IC50 (functional) = 1.1 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 7 (SENP7) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434973, AID434986] ChEMBL. No reference
IC50 (functional) = 2.3 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific proteases (SENPs) using a Caspase-3 Selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2599, AID434973, AID489001] ChEMBL. No reference

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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