Detailed information for compound 1738385

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 340.171 | Formula: C17H10BrNO2
  • H donors: 0 H acceptors: 2 LogP: 3.94 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2C(=O)c3ccccc3c3c2c(c1Br)ccn3
  • InChi: 1S/C17H10BrNO2/c1-21-13-8-12-14-11(15(13)18)6-7-19-16(14)9-4-2-3-5-10(9)17(12)20/h2-8H,1H3
  • InChiKey: DGBALRIWWANUEK-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
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.038 0.0313 0.0758
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.038 0.0313 0.0758
Schistosoma mansoni serine/threonine protein kinase 0.038 0.0313 0.0758
Trichomonas vaginalis AGC family protein kinase 0.038 0.0313 1
Trichomonas vaginalis AGC family protein kinase 0.038 0.0313 1
Echinococcus granulosus protein kinase c iota type 0.0648 0.1267 0.3074
Schistosoma mansoni atypical protein kinase C 0.0648 0.1267 0.3074
Onchocerca volvulus 0.2719 0.8645 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.038 0.0313 0.0313
Echinococcus multilocularis RNA directed DNA polymerase 0.0777 0.1725 0.4184
Brugia malayi Protein kinase c protein 2 0.1079 0.2802 1
Entamoeba histolytica protein kinase, putative 0.038 0.0313 0.5
Loa Loa (eye worm) AGC/AKT protein kinase 0.038 0.0313 0.0313
Schistosoma mansoni serine/threonine protein kinase 0.145 0.4123 1
Loa Loa (eye worm) hypothetical protein 0.2719 0.8645 0.8645
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.038 0.0313 0.0313
Trichomonas vaginalis AGC family protein kinase 0.038 0.0313 1
Trichomonas vaginalis AGC family protein kinase 0.038 0.0313 1
Loa Loa (eye worm) hypothetical protein 0.1045 0.268 0.268
Loa Loa (eye worm) hypothetical protein 0.0777 0.1725 0.1725
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0673 0.1355 0.1355
Trichomonas vaginalis AGC family protein kinase 0.038 0.0313 1
Schistosoma mansoni serine/threonine protein kinase 0.038 0.0313 0.0758
Echinococcus multilocularis Protein kinase C, brain isozyme 0.145 0.4123 1
Schistosoma mansoni serine/threonine kinase 0.038 0.0313 0.0758
Entamoeba histolytica protein kinase, putative 0.038 0.0313 0.5
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0811 0.1848 0.1848
Loa Loa (eye worm) hypothetical protein 0.2719 0.8645 0.8645
Trichomonas vaginalis AGC family protein kinase 0.038 0.0313 1
Echinococcus granulosus protein kinase c epsilon type 0.0673 0.1355 0.3287
Echinococcus granulosus Protein kinase C brain isozyme 0.145 0.4123 1
Echinococcus multilocularis serine:threonine protein kinase 38 0.038 0.0313 0.0758
Echinococcus granulosus protein kinase C gamma type 0.1182 0.3169 0.7685
Schistosoma mansoni serine/threonine protein kinase 0.0673 0.1355 0.3287
Trichomonas vaginalis AGC family protein kinase 0.038 0.0313 1
Echinococcus multilocularis protein kinase c iota type 0.0648 0.1267 0.3074
Loa Loa (eye worm) AGC/NDR protein kinase 0.038 0.0313 0.0313
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0777 0.1725 0.4184
Echinococcus granulosus RNA directed DNA polymerase 0.0777 0.1725 0.4184
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.038 0.0313 0.0758
Toxoplasma gondii AGC kinase 0.038 0.0313 0.5
Trichomonas vaginalis AGC family protein kinase 0.038 0.0313 1
Brugia malayi protein kinase C II. 0.0673 0.1355 0.4188
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.038 0.0313 0.0758
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.038 0.0313 0.0313
Echinococcus multilocularis protein kinase c epsilon type 0.0673 0.1355 0.3287
Entamoeba histolytica protein kinase, putative 0.038 0.0313 0.5
Trichomonas vaginalis AGC family protein kinase 0.038 0.0313 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.038 0.0313 0.0758
Loa Loa (eye worm) hypothetical protein 0.2987 0.9599 0.9599
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.038 0.0313 0.0313
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.038 0.0313 0.0758
Schistosoma mansoni serine/threonine protein kinase 0.038 0.0313 0.0758
Echinococcus multilocularis serine threonine protein kinase 0.1182 0.3169 0.7685
Loa Loa (eye worm) hypothetical protein 0.2719 0.8645 0.8645
Echinococcus granulosus serine:threonine protein kinase N2 0.038 0.0313 0.0758
Trypanosoma brucei rac serine-threonine kinase, putative 0.038 0.0313 0.5
Echinococcus granulosus NDR protein kinase 0.038 0.0313 0.0758
Echinococcus multilocularis serine:threonine protein kinase N2 0.038 0.0313 0.0758
Entamoeba histolytica protein kinase, putative 0.038 0.0313 0.5
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.038 0.0313 0.0758
Trichomonas vaginalis AGC family protein kinase 0.038 0.0313 1
Trichomonas vaginalis AGC family protein kinase 0.038 0.0313 1
Schistosoma mansoni serine/threonine protein kinase 0.038 0.0313 0.0758
Schistosoma mansoni serine/threonine protein kinase 0.145 0.4123 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.038 0.0313 0.0313

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 52 uM Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FCR-3 infected in human A positive erythrocytes by [3H]-hypoxanthine incorporation assay ChEMBL. 23164712
IC50 (ADMET) > 100 uM Cytotoxicity against human MRC5 cells ChEMBL. 23164712
IC50 (functional) > 100 uM Cytotoxicity against human J82 cells assessed as cell viability after 72 hrs by MTT assay ChEMBL. 23454511

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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