Detailed information for compound 514261

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 321.805 | Formula: C13H8ClN3OS2
  • H donors: 1 H acceptors: 2 LogP: 4.03 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N/C(=N\c2nccs2)/S/C/1=C\c1ccccc1Cl
  • InChi: 1S/C13H8ClN3OS2/c14-9-4-2-1-3-8(9)7-10-11(18)16-13(20-10)17-12-15-5-6-19-12/h1-7H,(H,15,16,17,18)/b10-7-
  • InChiKey: GVUBHGTVRUVUNG-YFHOEESVSA-N  


Substructure search Similarity search

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
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.7243 1
Echinococcus granulosus dual specificity 0.0061 0.7243 0.7302
Echinococcus granulosus dual specificity 0.0061 0.7243 0.7302
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0079 0.9918 1
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.7243 1
Echinococcus multilocularis dual specificity 0.0061 0.7243 0.7302
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0061 0.7243 1
Loa Loa (eye worm) haspin protein kinase 0.0079 0.9918 0.9918
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0061 0.7243 1
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0061 0.7243 1
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.7243 1
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0014 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.7243 1
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0014 0 0.5
Echinococcus granulosus serine:threonine protein kinase haspin 0.0079 0.9918 1
Brugia malayi hypothetical protein 0.0079 0.9918 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0079 0.9918 1
Loa Loa (eye worm) haspin protein kinase 0.0079 0.9918 0.9918
Echinococcus multilocularis dual specificity 0.0061 0.7243 0.7302
Brugia malayi GSG2 0.0079 0.9918 1
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.7243 1
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.7243 1
Echinococcus granulosus dual specificity 0.0061 0.7243 0.7302
Schistosoma mansoni hypothetical protein 0.0079 0.9918 1
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0061 0.7243 0.7302
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0061 0.7243 0.7243
Echinococcus multilocularis dual specificity 0.0061 0.7243 0.7302
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0079 0.9918 1
Entamoeba histolytica protein kinase domain containing protein 0.0061 0.7243 1
Plasmodium falciparum MO15-related protein kinase 0.0014 0 0.5
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0061 0.7243 0.5
Echinococcus granulosus serine:threonine protein kinase haspin 0.0079 0.9918 1
Giardia lamblia Kinase, CMGC DYRK 0.0061 0.7243 1
Entamoeba histolytica protein kinase, putative 0.0061 0.7243 1
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.7243 0.7302

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antimicrobial activity against Escherichia coli SPA27 upto 100 ug/ml by broth dilution technique ChEMBL. 18299196
Activity (functional) Antimicrobial activity against Saccharomyces cerevisiae ATCC 9763 upto 100 ug/ml by broth dilution technique ChEMBL. 18299196
Activity (functional) 0 Antimicrobial activity against Escherichia coli SPA27 upto 100 ug/ml by broth dilution technique ChEMBL. 18299196
Activity (functional) 0 Antimicrobial activity against Candida tropicalis ATCC 1369 upto 100 ug/ml by broth dilution technique ChEMBL. 18299196
Activity (functional) 0 Antimicrobial activity against Aspergillus niger ATCC 6275 upto 100 ug/ml by broth dilution technique ChEMBL. 18299196
Activity (functional) 0 Antimicrobial activity against Saccharomyces cerevisiae ATCC 9763 upto 100 ug/ml by broth dilution technique ChEMBL. 18299196
MIC (functional) = 0.15 ug ml-1 Antimicrobial activity against Haemophilus influenzae by broth dilution technique ChEMBL. 18299196
MIC (functional) = 0.3 ug ml-1 Antimicrobial activity against Bacillus megaterium by broth dilution technique ChEMBL. 18299196
MIC (functional) = 0.7 ug ml-1 Antimicrobial activity against Bacillus subtilis ATCC 6633 by broth dilution technique ChEMBL. 18299196
MIC (functional) = 0.7 ug ml-1 Antimicrobial activity against penicillin-resistant Staphylococcus aureus by broth dilution technique ChEMBL. 18299196
MIC (functional) = 0.7 ug ml-1 Antimicrobial activity against Bacillus thuringiensis var. kurstaki BGSC 4D1 by broth dilution technique ChEMBL. 18299196
MIC (functional) = 1.5 ug ml-1 Antimicrobial activity against Staphylococcus aureus ATCC 25923 by broth dilution technique ChEMBL. 18299196
MIC (functional) = 3 ug ml-1 Antimicrobial activity against Sarcina lutea by broth dilution technique ChEMBL. 18299196
MIC (functional) = 3 ug ml-1 Antimicrobial activity against penicillin-resistant Staphylococcus epidermidis ATCC 12228 by broth dilution technique ChEMBL. 18299196
MIC (functional) = 3 ug ml-1 Antimicrobial activity against penicillin-resistant Staphylococcus epidermidis by broth dilution technique ChEMBL. 18299196
MIC (functional) = 3 ug ml-1 Antimicrobial activity against Staphylococcus haemolyticus by broth dilution technique ChEMBL. 18299196
MIC (functional) = 3 ug ml-1 Antimicrobial activity against Streptococcus agalactiae by broth dilution technique ChEMBL. 18299196
MIC (functional) = 3 ug ml-1 Antimicrobial activity against Streptococcus faecium by broth dilution technique ChEMBL. 18299196
MIC (functional) = 12 ug ml-1 Antimicrobial activity against Streptococcus faecalis by broth dilution technique ChEMBL. 18299196
MIC (functional) = 12 ug ml-1 Antimicrobial activity against Streptococcus pyogenes by broth dilution technique ChEMBL. 18299196

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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