Detailed information for compound 335382

Basic information

Technical information
  • TDR Targets ID: 335382
  • Name: 2-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5- ium
  • MW: 312.184 | Formula: C16H12BrN2+
  • H donors: 1 H acceptors: 0 LogP: 4.2 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc2c(c1)cc1c([n+]2C)c2c([nH]1)cccc2
  • InChi: 1S/C16H11BrN2/c1-19-15-7-6-11(17)8-10(15)9-14-16(19)12-4-2-3-5-13(12)18-14/h2-9H,1H3/p+1
  • InChiKey: AZWJEYMOQAJBBN-UHFFFAOYSA-O  

Network

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Synonyms

  • 2-bromo-5-methyl-10H-quinolino[3,2-b]indol-5-ium

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
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0224087 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.00363603 0 0.5
Brugia malayi hypothetical protein 0.0104895 0.365075 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0224087 1 1
Onchocerca volvulus 0.00363603 0 0.5
Echinococcus granulosus leukotriene A 4 hydrolase 0.0224087 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.00363603 0 0.5
Onchocerca volvulus Bile acid receptor homolog 0.00363603 0 0.5
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0224087 1 1

Activities

Activity type Activity value Assay description Source Reference
BHIA50 (functional) = 0.63 Compound was tested for antiplasmodial activity by 50% inhibition of Beta-hematin formation ChEMBL. 15801861
IC50 (functional) = 0.26 Normalized IC50 value is obtained by multiplying antiplasmodial IC50 value with IC50 value of compound accumulated in the vacuole ChEMBL. 15801861
IC50 (functional) = 0.26 uM In vitro antiplasmodial activity of the compound against Plasmodium falciparum ChEMBL. 15801861
IC50 (functional) = 0.26 uM Normalized IC50 value is obtained by multiplying antiplasmodial IC50 value with IC50 value of compound accumulated in the vacuole ChEMBL. 15801861
IC50 (functional) = 0.26 uM In vitro antiplasmodial activity of the compound against Plasmodium falciparum ChEMBL. 15801861
pKa (functional) = 10.2 Activity of the compound is determined by accumulation into the acidic parasitic food vacuole given as pKa value ChEMBL. 15801861
Ratio (functional) = 1 Ratio of cytotoxic to that of antiplasmodial activity of the compound was determined ChEMBL. 15801861
Vascular accumulation ratio (functional) = 79.3 Vascular accumulation ratio is calculated by accumulation of compound into acidic parasitic food vacuole (pH=5.5) ChEMBL. 15801861
Vascular accumulation ratio (functional) = 79.3 Vascular accumulation ratio is calculated by accumulation of compound into acidic parasitic food vacuole (pH=5.5) ChEMBL. 15801861

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 15801861

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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