Detailed information for compound 409584

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 195.465 | Formula: C6H12B9N+
  • H donors: 0 H acceptors: 0 LogP: 0.17 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: [B]1234[B]567C81[B]12[B]294[C]435[B]357[B]68[B]65[B]12[B]9436.C[N+](C)(C)C
  • InChi: 1S/C4H12N.C2B9/c1-5(2,3)4;1-3-5-6-4(1)8(1)2-7(1,3,8)9(2,3,5)11(2,5,6)10(2,4,6)8/h1-4H3;/q+1;
  • InChiKey: HOGMTFSUITYHMJ-UHFFFAOYSA-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
Mycobacterium tuberculosis Probable transcriptional regulatory protein (probably LuxR/UhpA-family) 0.0624 0.2768 0.5
Mycobacterium tuberculosis Probable transcriptional regulatory protein (LuxR-family) 0.0624 0.2768 0.5
Brugia malayi Kinesin motor domain containing protein 0.0287 0.1229 0.5
Mycobacterium ulcerans putative regulatory protein 0.0624 0.2768 0.5
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0624 0.2768 0.5
Plasmodium falciparum kinesin-5 0.0287 0.1229 0.5
Mycobacterium ulcerans nitrate/nitrite response regulator protein NarL 0.0624 0.2768 0.5
Giardia lamblia Kinesin-5 0.0287 0.1229 0.5
Mycobacterium tuberculosis Possible nitrate/nitrite response transcriptional regulatory protein NarL 0.0624 0.2768 0.5
Mycobacterium leprae PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN 0.0624 0.2768 0.5
Mycobacterium tuberculosis Possible transcriptional regulatory protein 0.0624 0.2768 0.5
Plasmodium vivax kinesin-5 0.0287 0.1229 0.5
Mycobacterium tuberculosis Possible two component transcriptional regulatory protein (probably LuxR-family) 0.0624 0.2768 0.5
Mycobacterium ulcerans hypothetical protein 0.0624 0.2768 0.5
Mycobacterium ulcerans two component transcriptional regulatory protein DevR 0.0624 0.2768 0.5
Schistosoma mansoni hypothetical protein 0.1921 0.8691 1
Loa Loa (eye worm) kinesin-like protein KLP2 0.0287 0.1229 0.5
Toxoplasma gondii kinesin motor domain-containing protein 0.0287 0.1229 0.5
Entamoeba histolytica kinesin, putative 0.0287 0.1229 0.5
Mycobacterium ulcerans two component transcriptional regulator 0.0624 0.2768 0.5
Echinococcus multilocularis kinesin family 1 0.2208 1 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 12.5 ug ml-1 In vitro antibacterial activity against Streptococcus pyogenes ChEMBL. 7310826
MIC (functional) > 100 ug ml-1 In vitro antifungal activity against Candida albicans ChEMBL. 7310826
MIC (functional) > 100 ug ml-1 In vitro antifungal activity against Aspergillus fumigatus ChEMBL. 7310826
MIC (functional) > 100 ug ml-1 In vitro antifungal activity against Trichophyton asteroides ChEMBL. 7310826
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against Staphylococcus aureus ChEMBL. 7310826
MIC (functional) = 100 ug ml-1 In vitro antibacterial activity tested against Escherichia coli ChEMBL. 7310826
MIC (functional) = 100 ug ml-1 In vitro antibacterial activity tested against Klebsiella pneumoniae ChEMBL. 7310826
MIC (functional) > 100 ug ml-1 In vitro antibacterial activity against Pseudomonas aeruginosa ChEMBL. 7310826

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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