Detailed information for compound 1789938

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 413.741 | Formula: C14H11ClN4O2SSe
  • H donors: 0 H acceptors: 5 LogP: 3.45 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)n1nnnc1[Se]c1ccc(cc1)Cl
  • InChi: 1S/C14H11ClN4O2SSe/c1-10-2-6-12(7-3-10)22(20,21)19-14(16-17-18-19)23-13-8-4-11(15)5-9-13/h2-9H,1H3
  • InChiKey: YLDMPIDTYKROSV-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
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.116 0.5675 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1966 1 1
Loa Loa (eye worm) hypothetical protein 0.1966 1 1
Loa Loa (eye worm) hypothetical protein 0.1127 0.5497 0.5497
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1933 0.9822 0.9706
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0278 0.0937 0.0937
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.0937 1
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.0937 1
Onchocerca volvulus 0.1966 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.0477 0.1027
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.0937 1
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.0937 1
Loa Loa (eye worm) hypothetical protein 0.1933 0.9822 0.9822
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1966 1 1
Schistosoma mansoni 6-phosphofructokinase 0.1966 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.0937 1
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.1966 1 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.1933 0.9822 0.9706
Mycobacterium ulcerans hypothetical protein 0.116 0.5675 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1933 0.9822 0.9706
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.116 0.5675 0.5
Giardia lamblia Hypothetical protein 0.116 0.5675 0.5
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0278 0.0937 1
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.0477 0.1027
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1966 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1933 0.9822 0.9706
Giardia lamblia Hypothetical protein 0.116 0.5675 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1966 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0278 0.0937 1

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 3.2 mm Antimicrobial activity against Escherichia coli ATCC 11230 at 25 ug/disk measured after overnight incubation by disk diffusion 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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