TDR Targets

Basic information

Technical information

TDR Targets ID: 1581342
Name: 2,2-dibromo-1-[4-(trifluoromethyl)phenyl]etha none
MW: 345.939 | Formula: C9H5Br2F3O
H donors: 0 H acceptors: 1 LogP: 4.17 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: BrC(C(=O)c1ccc(cc1)C(F)(F)F)Br
InChi: 1S/C9H5Br2F3O/c10-8(11)7(15)5-1-3-6(4-2-5)9(12,13)14/h1-4,8H
InChiKey: KSPCEKVTGIDBCA-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glycogen synthase kinase 3 beta	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium parvum	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Brugia malayi	intracellular kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	second truncated form of RIM11 Serine/threonine protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	Serine/threonine protein kinase required for induction of IME2 by Ime1p	Get druggable targets OG5_126888	All targets in OG5_126888
Giardia lamblia	Kinase, CMGC GSK	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium knowlesi	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma cruzi	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus granulosus	protein kinase shaggy	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus multilocularis	protein kinase shaggy	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	CMGC/GSK protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania donovani	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma brucei gambiense	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	second truncated form of RIM11 Serine/threonine protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	CMGC/GSK protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania mexicana	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium berghei	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium yoelii	Protein kinase domain, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Babesia bovis	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma brucei	protein kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium vivax	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania infantum	glycogen synthase kinase 3	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma congolense	protein kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania braziliensis	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium falciparum	glycogen synthase kinase 3	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus granulosus	glycogen synthase kinase 3 beta	Get druggable targets OG5_126888	All targets in OG5_126888
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Onchocerca volvulus		Get druggable targets OG5_126888	All targets in OG5_126888
Giardia lamblia	Kinase, CMGC GSK	Get druggable targets OG5_126888	All targets in OG5_126888
Schistosoma japonicum	ko:K08822 glycogen synthase kinase 3 alpha, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Neospora caninum	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Theileria parva	glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus multilocularis	glycogen synthase kinase 3 beta	Get druggable targets OG5_126888	All targets in OG5_126888

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0007	0.0124	0.0653
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0007	0.0124	0.0216
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0058	0.1891	1
Trypanosoma cruzi	squalene monooxygenase, putative	0.0249	0.8572	0.8368
Giardia lamblia	Kinase, CMGC GSK	0.0058	0.1891	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0007	0.0124	0.0653
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0007	0.0124	0.0653
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0007	0.0124	0.0653
Schistosoma mansoni	nuclear hormone receptor	0.0007	0.0124	0.0653
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.004	0.1249	0.6605
Schistosoma mansoni	RAR-like nuclear receptor	0.0007	0.0124	0.0653
Brugia malayi	Probable protein farnesyltransferase beta subunit, putative	0.004	0.1249	0.2181
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0007	0.0124	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0124	0.0216
Onchocerca volvulus		0.0058	0.1891	1
Brugia malayi	nuclear hormone receptor	0.0007	0.0124	0.0216
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0007	0.0124	0.0216
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.004	0.1249	0.6605
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0007	0.0124	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0124	0.0216
Echinococcus multilocularis	protein kinase shaggy	0.0058	0.1891	1
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.016	0.5474	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0007	0.0124	0.0653
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0007	0.0124	0.0216
Entamoeba histolytica	protein kinase domain containing protein	0.0058	0.1891	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0007	0.0124	0.0216
Trypanosoma brucei	squalene monooxygenase, putative	0.0249	0.8572	0.8368
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.004	0.1249	0.2181
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.004	0.1249	0.6605
Brugia malayi	nuclear receptor NHR-88	0.0007	0.0124	0.0216
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0007	0.0124	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0124	0.0216
Loa Loa (eye worm)	hypothetical protein	0.004	0.1249	0.2181
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0007	0.0124	0.0653
Echinococcus multilocularis	FTZ F1 alpha	0.0007	0.0124	0.0653
Loa Loa (eye worm)	steroid hormone receptor	0.0007	0.0124	0.0216
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0007	0.0124	0.0216
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0058	0.1891	0.0872
Brugia malayi	photoreceptor-specific nuclear receptor	0.0007	0.0124	0.0216
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.004	0.1249	0.6605
Entamoeba histolytica	protein kinase domain containing protein	0.0058	0.1891	1
Leishmania major	lanosterol synthase, putative	0.025	0.8612	1
Schistosoma mansoni	coup transcription factor	0.0007	0.0124	0.0653
Brugia malayi	steroid hormone receptor	0.0007	0.0124	0.0216
Echinococcus multilocularis	Rab geranylgeranyltransferase, beta subunit	0.004	0.1249	0.6605
Trypanosoma cruzi	lanosterol synthase, putative	0.029	1	1
Loa Loa (eye worm)	STAT protein	0.0168	0.5728	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0007	0.0124	0.0216
Trypanosoma cruzi	squalene monooxygenase, putative	0.0249	0.8572	0.8368
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0007	0.0124	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0124	0.0216
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0168	0.5728	1
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0058	0.1891	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0007	0.0124	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0124	0.0216
Schistosoma mansoni	thyroid hormone receptor	0.0007	0.0124	0.0653
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0007	0.0124	0.0653
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0058	0.1891	0.3302
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0058	0.1891	1
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0058	0.1891	0.0734
Brugia malayi	Nuclear hormone receptor-like 1	0.0007	0.0124	0.0216
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0007	0.0124	0.0653
Schistosoma mansoni	retinoic acid receptor RXR	0.0007	0.0124	0.0653
Trichomonas vaginalis	CMGC family protein kinase	0.0058	0.1891	1
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0058	0.1891	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0007	0.0124	0.0653
Echinococcus granulosus	FTZ F1 alpha	0.0007	0.0124	0.0653
Brugia malayi	Steroid receptor seven-up type 2	0.0007	0.0124	0.0216
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0007	0.0124	0.0653
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0007	0.0124	0.0216
Brugia malayi	intracellular kinase	0.0058	0.1891	0.3302
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0007	0.0124	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0124	0.0216
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.004	0.1249	0.2181
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0007	0.0124	0.0653
Plasmodium falciparum	glycogen synthase kinase 3	0.0058	0.1891	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0007	0.0124	0.0653
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0007	0.0124	0.0216
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.004	0.1249	0.2181
Brugia malayi	ecdysteroid receptor	0.0007	0.0124	0.0216
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0007	0.0124	0.0653
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0007	0.0124	0.0653
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0007	0.0124	0.0216
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0007	0.0124	0.0653
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0007	0.0124	0.0216
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0007	0.0124	0.0216
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.004	0.1249	0.2181
Echinococcus granulosus	protein kinase shaggy	0.0058	0.1891	1
Trichomonas vaginalis	CMGC family protein kinase	0.0058	0.1891	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0007	0.0124	0.0216
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0058	0.1891	0.3302
Echinococcus multilocularis	geranylgeranyl transferase type I beta subunit	0.004	0.1249	0.6605
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0007	0.0124	0.0653
Schistosoma mansoni	thyroid hormone receptor	0.0007	0.0124	0.0653
Trypanosoma cruzi	lanosterol synthase, putative	0.029	1	1
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.004	0.1249	0.6605
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0007	0.0124	0.0216
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0007	0.0124	0.0653
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0007	0.0124	0.0216
Echinococcus granulosus	geranylgeranyl transferase type I beta subunit	0.004	0.1249	0.6605
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0058	0.1891	1
Giardia lamblia	Kinase, CMGC GSK	0.0058	0.1891	1
Schistosoma mansoni	geranylgeranyl transferase type II beta subunit	0.004	0.1249	0.6605
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0007	0.0124	0.0216
Trypanosoma brucei	protein kinase, putative	0.0058	0.1891	0.0734
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0007	0.0124	0.0653
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0007	0.0124	0.0216
Leishmania major	squalene monooxygenase-like protein	0.0249	0.8572	0.9944
Entamoeba histolytica	protein kinase, putative	0.0058	0.1891	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0007	0.0124	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0124	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0124	0.0216
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0007	0.0124	0.0653
Loa Loa (eye worm)	hypothetical protein	0.004	0.1249	0.2181
Echinococcus multilocularis	ecdysone induced protein 78C	0.0007	0.0124	0.0653

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5 uM	Inhibition of GSK3-beta using GS1 as substrate and [gamma-32P]ATP after 20 mins by radiometric assay	ChEMBL.	21500862

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

ChEMBL: CHEMBL1800091

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1581342