TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 491.756 | Formula: C9H4Br4N2O2
H donors: 1 H acceptors: 3 LogP: 3.9 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)Cn1cnc2c1c(Br)c(Br)c(c2Br)Br
InChi: 1S/C9H4Br4N2O2/c10-4-5(11)7(13)9-8(6(4)12)14-2-15(9)1-3(16)17/h2H,1H2,(H,16,17)
InChiKey: WIMPWBKZHKEQQS-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	casein kinase 2, alpha prime polypeptide	Starlite/ChEMBL	References
Homo sapiens	casein kinase 2, alpha 1 polypeptide	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	CMGC/CK2 protein kinase	Get druggable targets OG5_126901	All targets in OG5_126901
Candida albicans	likely protein kinase similar to S. cerevisiae CKA1 (YIL035C) alpha subunit of protein kinase 2, aka casein kinase II	Get druggable targets OG5_126901	All targets in OG5_126901
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126901	All targets in OG5_126901
Giardia lamblia	Kinase, CMGC CK2	Get druggable targets OG5_126901	All targets in OG5_126901
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126901	All targets in OG5_126901
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126901	All targets in OG5_126901
Trypanosoma congolense	casein kinase II, putative	Get druggable targets OG5_126901	All targets in OG5_126901
Schistosoma japonicum	ko:K03097 casein kinase 2, alpha polypeptide, putative	Get druggable targets OG5_126901	All targets in OG5_126901
Plasmodium vivax	unspecified product	Get druggable targets OG5_126901	All targets in OG5_126901
Plasmodium berghei	casein kinase 2, alpha subunit	Get druggable targets OG5_126901	All targets in OG5_126901
Toxoplasma gondii	CMGC kinase, CK2 family	Get druggable targets OG5_126901	All targets in OG5_126901
Trypanosoma cruzi	casein kinase II, putative	Get druggable targets OG5_126901	All targets in OG5_126901
Plasmodium knowlesi	casein kinase 2, alpha subunit, putative	Get druggable targets OG5_126901	All targets in OG5_126901
Leishmania braziliensis	casein kinase II, putative	Get druggable targets OG5_126901	All targets in OG5_126901
Leishmania major	casein kinase II, putative	Get druggable targets OG5_126901	All targets in OG5_126901
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126901	All targets in OG5_126901
Trypanosoma brucei gambiense	casein kinase II, putative	Get druggable targets OG5_126901	All targets in OG5_126901
Babesia bovis	casein kinase II, alpha chain (CK II)	Get druggable targets OG5_126901	All targets in OG5_126901
Neospora caninum	hypothetical protein	Get druggable targets OG5_126901	All targets in OG5_126901
Trypanosoma brucei	Casein kinase II	Get druggable targets OG5_126901	All targets in OG5_126901
Echinococcus multilocularis	casein kinase ii subunit alpha	Get druggable targets OG5_126901	All targets in OG5_126901
Candida albicans	Casein kinase II alpha' subunit	Get druggable targets OG5_126901	All targets in OG5_126901
Plasmodium vivax	casein kinase 2, alpha subunit, putative	Get druggable targets OG5_126901	All targets in OG5_126901
Plasmodium yoelii	Protein kinase domain	Get druggable targets OG5_126901	All targets in OG5_126901
Plasmodium falciparum	casein kinase 2, alpha subunit	Get druggable targets OG5_126901	All targets in OG5_126901
Cryptosporidium parvum	casein kinase II, alpha subunit, putative	Get druggable targets OG5_126901	All targets in OG5_126901
Theileria parva	casein kinase II, alpha chain	Get druggable targets OG5_126901	All targets in OG5_126901
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_126901	All targets in OG5_126901
Schistosoma mansoni	protein kinase	Get druggable targets OG5_126901	All targets in OG5_126901
Leishmania donovani	casein kinase II, putative	Get druggable targets OG5_126901	All targets in OG5_126901
Brugia malayi	Casein kinase II, alpha chain	Get druggable targets OG5_126901	All targets in OG5_126901
Entamoeba histolytica	casein kinase, putative	Get druggable targets OG5_126901	All targets in OG5_126901
Cryptosporidium hominis	protein kinase domain	Get druggable targets OG5_126901	All targets in OG5_126901
Candida albicans	Casein kinase II alpha' subunit	Get druggable targets OG5_126901	All targets in OG5_126901
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126901	All targets in OG5_126901
Echinococcus granulosus	casein kinase ii subunit alpha	Get druggable targets OG5_126901	All targets in OG5_126901
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126901	All targets in OG5_126901
Leishmania infantum	casein kinase II, putative	Get druggable targets OG5_126901	All targets in OG5_126901
Leishmania mexicana	casein kinase II, putative	Get druggable targets OG5_126901	All targets in OG5_126901
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126901	All targets in OG5_126901

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	casein kinase II, alpha chain, putative	casein kinase 2, alpha 1 polypeptide	391 aa	316 aa	51.3 %
Trypanosoma cruzi	casein kinase II, alpha chain, putative	casein kinase 2, alpha prime polypeptide	350 aa	319 aa	50.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.056	0.1018
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0043	0.056	0.021
Mycobacterium ulcerans	DNA polymerase IV	0.0043	0.056	1
Echinococcus granulosus	dna polymerase eta	0.0101	0.2944	0.2608
Echinococcus granulosus	casein kinase ii subunit alpha	0.0162	0.5504	0.529
Trypanosoma brucei	unspecified product	0.0043	0.056	0.1018
Leishmania major	DNA polymerase eta, putative	0.0071	0.1699	0.2465
Plasmodium vivax	unspecified product	0.0162	0.5504	0.5
Plasmodium falciparum	casein kinase 2, alpha subunit	0.0162	0.5504	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.086	0.0425
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.086	0.0425
Trichomonas vaginalis	DNA polymerase eta, putative	0.0043	0.056	0.021
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0043	0.056	0.021
Leishmania major	DNA polymerase kappa, putative	0.0043	0.056	0.021
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0043	0.056	0.021
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.086	0.0425
Echinococcus multilocularis	dna polymerase eta	0.0101	0.2944	0.2608
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.056	0.1018
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0454	0.0826
Echinococcus multilocularis	survival motor neuron protein 1	0.0271	1	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0043	0.056	0.021
Onchocerca volvulus		0.0055	0.1048	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.056	0.1018
Trichomonas vaginalis	CMGC family protein kinase	0.0162	0.5504	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0043	0.056	0.021
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0055	0.1048	0.0622
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.086	0.0803
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0071	0.1699	0.2465
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0037	0.0276	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0043	0.056	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0101	0.2944	0.4931
Schistosoma mansoni	survival motor neuron protein	0.0055	0.1048	0.1176
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.056	0.1018
Leishmania major	casein kinase II, putative	0.0162	0.5504	1
Trichomonas vaginalis	CMGC family protein kinase	0.0162	0.5504	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0101	0.2944	0.535
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.056	0.1018
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.086	0.0425
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.056	0.1018
Trichomonas vaginalis	CMGC family protein kinase	0.0162	0.5504	1
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.0162	0.5504	0.5
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0043	0.056	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0271	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0043	0.056	0.1018
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.056	0.1018
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0043	0.056	0.0111
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0041	0.0454	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.086	0.0425
Entamoeba histolytica	protein kinase domain containing protein	0.0162	0.5504	1
Trichomonas vaginalis	CMGC family protein kinase	0.0162	0.5504	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0043	0.056	0.1018
Trichomonas vaginalis	CMGC family protein kinase	0.0162	0.5504	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0101	0.2944	0.2608
Schistosoma mansoni	protein kinase	0.0162	0.5504	1
Trypanosoma brucei	Casein kinase II	0.0162	0.5504	1
Entamoeba histolytica	casein kinase, putative	0.0162	0.5504	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0043	0.056	0.021
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0043	0.056	0.021
Mycobacterium ulcerans	DNA polymerase IV	0.0043	0.056	1
Schistosoma mansoni	hypothetical protein	0.0055	0.1048	0.1176
Trypanosoma brucei	DNA polymerase IV, putative	0.0043	0.056	0.1018
Echinococcus granulosus	dna polymerase kappa	0.0043	0.056	0.0111
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0043	0.056	0.021
Trypanosoma cruzi	casein kinase II, putative	0.0162	0.5504	1
Echinococcus granulosus	survival motor neuron protein 1	0.0271	1	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0043	0.056	0.0111
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.086	0.0803
Trichomonas vaginalis	CMGC family protein kinase	0.0162	0.5504	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0043	0.056	0.021
Trichomonas vaginalis	CMGC family protein kinase	0.0162	0.5504	1
Toxoplasma gondii	CMGC kinase, CK2 family	0.0162	0.5504	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.056	0.1018
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0043	0.056	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.056	0.1018
Echinococcus multilocularis	dna polymerase kappa	0.0043	0.056	0.0111
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0043	0.056	0.0111
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.086	0.0803
Schistosoma mansoni	DNA polymerase eta	0.0101	0.2944	0.4931
Trypanosoma cruzi	DNA polymerase eta, putative	0.0071	0.1699	0.2465
Giardia lamblia	Kinase, CMGC CK2	0.0162	0.5504	1
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.0162	0.5504	0.529
Leishmania major	DNA polymerase eta, putative	0.0101	0.2944	0.4931
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.086	0.0425
Brugia malayi	Casein kinase II, alpha chain	0.0162	0.5504	0.529
Echinococcus multilocularis	casein kinase ii subunit alpha	0.0162	0.5504	0.529
Loa Loa (eye worm)	hypothetical protein	0.0101	0.2944	0.2608
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.056	0.1018

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 342 nM	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli BE21 (DE3) assessed as [33P]gamma-ATP incorporation into RRRADDSDDDDD substrate after 15 mins by scintillation counting	ChEMBL.	22115617
Ki (binding)	= 609 nM	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli BL21 (DE3) assessed as [33P]gamma-ATP incorporation into P2B substrate after 15 mins by scintillation counting	ChEMBL.	22115617
Ki (binding)	= 670 nM	Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BL21 (DE3) assessed as [33P]gamma-ATP incorporation into RRRADDSDDDDD substrate after 15 mins by scintillation counting	ChEMBL.	22115617
Ki (binding)	= 798 nM	Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BE21 (DE3) assessed as [33P]gamma-ATP incorporation into P2B substrate after 15 mins by scintillation counting	ChEMBL.	22115617

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: CHEMBL594575

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 1091668