Detailed information for compound 1791729

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 284.399 | Formula: C15H12N2S2
  • H donors: 1 H acceptors: 0 LogP: 3.61 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)c1ccc(cc1)c1ccc(s1)c1cccs1
  • InChi: 1S/C15H12N2S2/c16-15(17)11-5-3-10(4-6-11)12-7-8-14(19-12)13-2-1-9-18-13/h1-9H,(H3,16,17)
  • InChiKey: ARXYEMXDDFWBIM-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
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.1773 0.8892 0.8892
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0201 0.0027 0.0027
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.1773 0.8892 0.8892
Trichomonas vaginalis conserved hypothetical protein 0.0197 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0197 0 0.5
Entamoeba histolytica hypothetical protein 0.0197 0 0.5
Entamoeba histolytica hypothetical protein 0.0197 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0197 0 0.5
Echinococcus granulosus beta-adrenergic receptor kinase 0.0201 0.0027 0.003
Trichomonas vaginalis conserved hypothetical protein 0.0197 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0201 0.0027 0.0027
Echinococcus multilocularis beta adrenergic receptor kinase 0.0201 0.0027 0.003
Trichomonas vaginalis conserved hypothetical protein 0.0197 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.197 1 1
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0197 0 0.5
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.1773 0.8892 1
Echinococcus multilocularis G protein coupled receptor kinase 6 0.1773 0.8892 1
Entamoeba histolytica hypothetical protein 0.0197 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0197 0 0.5
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1773 0.8892 0.8892
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.197 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0201 0.0027 0.0027

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Induction of Bos taurus (bovine) serum albumin degradation after 1 hr by SDS-PAGE analysis ChEMBL. No reference
IZ (functional) = 11 mm Antimicrobial activity against Escherichia coli at 100 ug after 24 hr by cup diffusion technique ChEMBL. No reference
IZ (functional) = 12 mm Antimicrobial activity against Saccharomyces cerevisiae at 100 ug after 24 hr by cup diffusion technique ChEMBL. No reference
MIC (functional) = 10 ug ml-1 Antimicrobial activity against Saccharomyces cerevisiae after 24 hr by CLSI liquid dilution method ChEMBL. No reference
MIC (functional) = 10 ug ml-1 Antimicrobial activity against Escherichia coli after 24 hr by CLSI liquid dilution method 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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