Detailed information for compound 1522695

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 327.131 | Formula: C12H11BrN2O4
  • H donors: 0 H acceptors: 4 LogP: 2.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: BrCCCCN1c2ccc(cc2C(=O)C1=O)[N+](=O)[O-]
  • InChi: 1S/C12H11BrN2O4/c13-5-1-2-6-14-10-4-3-8(15(18)19)7-9(10)11(16)12(14)17/h3-4,7H,1-2,5-6H2
  • InChiKey: JZZBRJFTEQLSMQ-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
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.013 0.7399 1
Loa Loa (eye worm) TAR-binding protein 0.013 0.7399 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1954 0.2641
Schistosoma mansoni hypothetical protein 0.0034 0.0893 0.0893
Onchocerca volvulus Bile acid receptor homolog 0.0021 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1954 0.2641
Brugia malayi RNA binding protein 0.013 0.7399 1
Onchocerca volvulus 0.0021 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.013 0.7399 0.7399
Loa Loa (eye worm) hypothetical protein 0.0034 0.0893 0.1206
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0 0.5
Echinococcus multilocularis geminin 0.0168 1 1
Brugia malayi TAR-binding protein 0.013 0.7399 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.7399 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.7399 0.7399
Echinococcus granulosus tar DNA binding protein 0.013 0.7399 0.7399
Schistosoma mansoni tar DNA-binding protein 0.013 0.7399 0.7399
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0893 0.1206
Schistosoma mansoni tar DNA-binding protein 0.013 0.7399 0.7399
Schistosoma mansoni tar DNA-binding protein 0.013 0.7399 0.7399
Loa Loa (eye worm) RNA binding protein 0.013 0.7399 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1954 0.2641
Schistosoma mansoni hypothetical protein 0.0168 1 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.7399 0.7399
Schistosoma mansoni hypothetical protein 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1954 0.2641

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 20 uM Antiplasmodial activity against Plasmodium falciparum W2 ChEMBL. 21376591
Inhibition (functional) Antitubercular activity against Mycobacterium tuberculosis H37Rv at 1 ug/ml by BACTEC radiometric susceptibility assay ChEMBL. 21376591
Inhibition (functional) Antitubercular activity against Mycobacterium tuberculosis H37Rv at 10 ug/ml by BACTEC radiometric susceptibility assay ChEMBL. 21376591
MIC (functional) Antitubercular activity against Mycobacterium tuberculosis H37Rv by LORA assay ChEMBL. 21376591
MIC (functional) > 128 uM Antitubercular activity against Mycobacterium tuberculosis H37Rv by microplate alamar blue assay ChEMBL. 21376591

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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