Detailed information for compound 1057421

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.222 | Formula: C16H16BrN3O
  • H donors: 0 H acceptors: 2 LogP: 3.65 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc(cn1Cc1coc(n1)c1ccc(cc1)Br)C
  • InChi: 1S/C16H16BrN3O/c1-3-15-18-11(2)8-20(15)9-14-10-21-16(19-14)12-4-6-13(17)7-5-12/h4-8,10H,3,9H2,1-2H3
  • InChiKey: NOGJTEHMOQWGES-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Schistosoma mansoni hypothetical protein 0.0071 0.1071 0.0362
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0252 1 1
Brugia malayi RNA binding protein 0.013 0.4017 0.4017
Schistosoma mansoni jun-related protein 0.0071 0.1071 0.0362
Schistosoma mansoni hypothetical protein 0.0184 0.6669 0.9403
Loa Loa (eye worm) hypothetical protein 0.0142 0.4599 0.3967
Schistosoma mansoni tar DNA-binding protein 0.013 0.4017 0.512
Schistosoma mansoni hypothetical protein 0.007 0.1047 0.0323
Brugia malayi hypothetical protein 0.0068 0.0954 0.0954
Echinococcus granulosus tar DNA binding protein 0.013 0.4017 0.6024
Echinococcus multilocularis jun protein 0.0087 0.1874 0.281
Echinococcus multilocularis tar DNA binding protein 0.013 0.4017 0.6024
Loa Loa (eye worm) hypothetical protein 0.0103 0.2648 0.1788
Echinococcus multilocularis geminin 0.0184 0.6669 1
Brugia malayi TAR-binding protein 0.013 0.4017 0.4017
Loa Loa (eye worm) hypothetical protein 0.0085 0.1757 0.0793
Loa Loa (eye worm) RNA binding protein 0.013 0.4017 0.3318
Echinococcus granulosus jun protein 0.0087 0.1874 0.281
Onchocerca volvulus 0.0068 0.0954 0.2025
Brugia malayi bZIP transcription factor family protein 0.0087 0.1874 0.1874
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.1047 0.1047
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0125 0.3752 0.3752
Loa Loa (eye worm) hypothetical protein 0.0126 0.378 0.3053
Schistosoma mansoni tar DNA-binding protein 0.013 0.4017 0.512
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.4017 0.3318
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0087 0.1874 0.281
Echinococcus multilocularis aryl hydrocarbon receptor 0.0143 0.4627 0.6938
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.2648 0.1788
Brugia malayi RNA recognition motif domain containing protein 0.013 0.4017 0.4017
Schistosoma mansoni tar DNA-binding protein 0.013 0.4017 0.512
Schistosoma mansoni aryl hydrocarbon receptor 0.0192 0.7038 1
Echinococcus granulosus geminin 0.0184 0.6669 1
Onchocerca volvulus 0.0142 0.4599 1
Schistosoma mansoni hypothetical protein 0.0184 0.6669 0.9403
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0087 0.1874 0.281
Schistosoma mansoni tar DNA-binding protein 0.013 0.4017 0.512
Loa Loa (eye worm) hypothetical protein 0.0125 0.3752 0.3021
Mycobacterium ulcerans putative regulatory protein 0.0049 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.013 0.4017 0.512
Echinococcus granulosus aryl hydrocarbon receptor 0.0143 0.4627 0.6938
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.2648 0.2648
Brugia malayi PAS domain containing protein 0.0066 0.0847 0.0847
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.2648 0.2648
Loa Loa (eye worm) TAR-binding protein 0.013 0.4017 0.3318

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -1 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.