Detailed information for compound 279588

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 251.076 | Formula: C11H7BrO2
  • H donors: 0 H acceptors: 2 LogP: 2.01 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: BrCc1ccc2c(c1)C(=O)C=CC2=O
  • InChi: 1S/C11H7BrO2/c12-6-7-1-2-8-9(5-7)11(14)4-3-10(8)13/h1-5H,6H2
  • InChiKey: LXDFSAFEWUKHJT-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
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase 0.0055 0.0315 0.0315
Plasmodium falciparum serine/threonine protein kinase, putative 0.0133 1 1
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0133 1 1
Loa Loa (eye worm) AUR protein kinase 0.0133 1 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0133 1 1
Toxoplasma gondii aurora kinase 0.0133 1 1
Echinococcus granulosus cyclin dependent kinase 7 0.0092 0.4893 0.4893
Giardia lamblia Aurora kinase 0.0133 1 1
Leishmania major protein kinase, putative 0.0133 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0133 1 1
Trichomonas vaginalis AGC family protein kinase 0.0133 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0062 0.1137 0.1137
Schistosoma mansoni kinase 0.0055 0.0315 0.0315
Entamoeba histolytica protein kinase , putative 0.0133 1 1
Trichomonas vaginalis AGC family protein kinase 0.0133 1 1
Echinococcus granulosus cyclin dependent kinase 9 0.0064 0.1452 0.1452
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0133 1 1
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0133 1 1
Schistosoma mansoni protein kinase 0.0133 1 1
Loa Loa (eye worm) AUR protein kinase 0.0133 1 1
Entamoeba histolytica protein kinase, putative 0.0133 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.4893 0.4893
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0133 1 1
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0133 1 1
Brugia malayi cyclin-dependent kinase 7 homolog 0.0101 0.6029 0.6029
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0092 0.4893 0.4893
Trichomonas vaginalis AGC family protein kinase 0.0133 1 1
Brugia malayi serine/threonine-protein kinase 6 0.0133 1 1
Brugia malayi serine/threonine kinase 12 0.0133 1 1
Trichomonas vaginalis AGC family protein kinase 0.0133 1 1
Echinococcus granulosus aurora kinase A 0.0133 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0133 1 1
Trypanosoma brucei aurora B kinase 0.0133 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0055 0.0315 0.0315
Echinococcus multilocularis cyclin dependent kinase 7 0.0092 0.4893 0.4893
Echinococcus multilocularis cyclin dependent kinase 9 0.0055 0.0315 0.0315
Echinococcus multilocularis aurora kinase A 0.0133 1 1
Trypanosoma cruzi aurora B kinase, putative 0.0133 1 1
Brugia malayi cyclin-dependent kinase 9 0.0055 0.0315 0.0315
Loa Loa (eye worm) AUR protein kinase 0.0133 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.4893 0.4893
Echinococcus multilocularis cyclin dependent kinase 9 0.0064 0.1452 0.1452
Echinococcus granulosus cyclin dependent kinase 9 0.0055 0.0315 0.0315
Entamoeba histolytica protein kinase, putative 0.0133 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0315 0.0315

Activities

Activity type Activity value Assay description Source Reference
Average weight change (functional) = -12.5 % Average weight change in mice bearing sarcoma 180 ascites cells at dose 20 mg/kg ChEMBL. 7097727
Average weight change (functional) = -12.5 % Average weight change in mice bearing sarcoma 180 ascites cells at dose 20 mg/kg ChEMBL. 7097727
Average weight change (functional) = -11.3 % Average weight change in mice bearing sarcoma 180 ascites cells at dose 10 mg/kg ChEMBL. 7097727
Average weight change (functional) = -11.3 % Average weight change in mice bearing sarcoma 180 ascites cells at dose 10 mg/kg ChEMBL. 7097727
Average weight change (functional) = -7.8 % Average weight change in mice bearing sarcoma 180 ascites cells at dose 5 mg/kg ChEMBL. 7097727
Average weight change (functional) = -7.8 % Average weight change in mice bearing sarcoma 180 ascites cells at dose 5 mg/kg ChEMBL. 7097727
Average weight change (functional) = -4.2 % Average weight change in mice bearing sarcoma 180 ascites cells at dose 2.5 mg/kg ChEMBL. 7097727
Average weight change (functional) = -4.2 % Average weight change in mice bearing sarcoma 180 ascites cells at dose 2.5 mg/kg ChEMBL. 7097727
T/C (functional) = 0.57 Ratio of the survival time of treated to control animals at dose 20 mg/kg ChEMBL. 7097727
T/C (functional) = 1.42 Ratio of the survival time of treated to control animals at dose 10 mg/kg ChEMBL. 7097727
T/C (functional) = 1.46 Ratio of the survival time of treated to control animals at dose 5 mg/kg ChEMBL. 7097727
T/C (functional) = 2.07 Ratio of the survival time of treated to control animals at dose 2.5 mg/kg ChEMBL. 7097727

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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