Detailed information for compound 2241441

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.168 | Formula: C27H22N2O2
  • H donors: 2 H acceptors: 2 LogP: 5.2 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)CNC(=O)c1cccc2c1cccc2)/C=C/c1ccccc1
  • InChi: InChI=1S/C27H22N2O2/c30-26(17-16-20-8-2-1-3-9-20)29-23-13-6-10-21(18-23)19-28-27(31)25-15-7-12-22-11-4-5-14-24(22)25/h1-18H,19H2,(H,28,31)(H,29,30)/b17-16+
  • InChiKey: LDFDHHSJHNGSKV-WUKNDPDISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 1 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_127954 All targets in OG5_127954
Plasmodium berghei sentrin-specific protease 1, putative Get druggable targets OG5_127954 All targets in OG5_127954
Candida albicans one of three potential ubiquitin-like protein-specific protease genes Get druggable targets OG5_127954 All targets in OG5_127954
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein Get druggable targets OG5_127954 All targets in OG5_127954
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_127954 All targets in OG5_127954
Schistosoma japonicum ko:K08592 sentrin-specific protease 1, putative Get druggable targets OG5_127954 All targets in OG5_127954
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127954 All targets in OG5_127954
Echinococcus granulosus sentrin specific protease 1 Get druggable targets OG5_127954 All targets in OG5_127954
Neospora caninum hypothetical protein Get druggable targets OG5_127954 All targets in OG5_127954
Plasmodium knowlesi sentrin-specific protease 1, putative Get druggable targets OG5_127954 All targets in OG5_127954
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_127954 All targets in OG5_127954
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127954 All targets in OG5_127954
Plasmodium falciparum sentrin-specific protease 1 Get druggable targets OG5_127954 All targets in OG5_127954
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_127954 All targets in OG5_127954
Plasmodium vivax sentrin-specific protease 1, putative Get druggable targets OG5_127954 All targets in OG5_127954
Plasmodium yoelii similar to sentrin/SUMO-specific protease Get druggable targets OG5_127954 All targets in OG5_127954
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_127954 All targets in OG5_127954
Echinococcus multilocularis sentrin specific protease 1 Get druggable targets OG5_127954 All targets in OG5_127954
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_127954 All targets in OG5_127954
Theileria parva hypothetical protein Get druggable targets OG5_127954 All targets in OG5_127954
Candida albicans one of three potential ubiquitin-like protein-specific protease genes Get druggable targets OG5_127954 All targets in OG5_127954
Cryptosporidium parvum ULP1 like chllamydin domain containing protease Get druggable targets OG5_127954 All targets in OG5_127954
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 vivax sentrin-specific protease 1, putative 0.0056 0.5 0.5
Plasmodium falciparum sentrin-specific protease 1 0.0056 0.5 0.5
Echinococcus multilocularis sentrin specific protease 1 0.0056 0.5 0.5
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0056 0.5 0.5
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0056 0.5 0.5
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0056 0.5 0.5
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0056 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.5 0.5
Echinococcus granulosus sentrin specific protease 1 0.0056 0.5 0.5
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0056 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12.4 uM Inhibition of SENP1 catalytic domain (419 to 644 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in deSUMOylation preincubated for 10 mins followed by addition of RanGAP-SUMO as substrate measured after 25 mins by coomassie staining-based SDS-PAGE analysis LITERATURE. 27344494

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.