Detailed information for compound 1507967

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 503.424 | Formula: C22H16Cl2N4O2S2
  • H donors: 4 H acceptors: 2 LogP: 6.37 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: S=C(NC(=O)c1cccc(c1)C(=O)NC(=S)Nc1cccc(c1)Cl)Nc1cccc(c1)Cl
  • InChi: 1S/C22H16Cl2N4O2S2/c23-15-6-2-8-17(11-15)25-21(31)27-19(29)13-4-1-5-14(10-13)20(30)28-22(32)26-18-9-3-7-16(24)12-18/h1-12H,(H2,25,27,29,31)(H2,26,28,30,32)
  • InChiKey: ZCXVWPXFTYNVLJ-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
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0039 0.7736 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.7736 0.7736
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0039 0.7736 0.7736
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0039 0.7736 0.7736
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.7736 0.5
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.7736 0.5
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0039 0.7736 0.5
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0039 0.7736 0.7736
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0039 0.7736 0.5
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.7736 0.5
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0039 0.7736 0.7736
Echinococcus multilocularis ubiquitin specific protease 41 0.0039 0.7736 0.7736
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.7736 0.5
Echinococcus granulosus ubiquitin specific protease 41 0.0039 0.7736 0.7736
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0039 0.7736 0.7736
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0039 0.7736 0.7736
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.7736 0.5
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0039 0.7736 0.7736
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.7736 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 12.02 uM Cytotoxicity against human KB cells after 72 hrs by MTT assay ChEMBL. 21273072

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21273072

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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