TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 424.083 | Formula: C17H12Br2O3
H donors: 1 H acceptors: 2 LogP: 4.94 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(C)c2c(c1)c(=O)cc(o2)c1cc(Br)c(c(c1)Br)O
InChi: 1S/C17H12Br2O3/c1-8-3-9(2)17-11(4-8)14(20)7-15(22-17)10-5-12(18)16(21)13(19)6-10/h3-7,21H,1-2H3
InChiKey: CUUSEXUAXBVMGW-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, beta polypeptide	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Casein kinase II subunit beta homolog	Get druggable targets OG5_126846	All targets in OG5_126846
Schistosoma japonicum	ko:K03115 casein kinase 2, beta polypeptide, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Candida albicans	Casein kinase II, regulatory (beta) subunit	Get druggable targets OG5_126846	All targets in OG5_126846
Toxoplasma gondii	ck2 beta subunit	Get druggable targets OG5_126846	All targets in OG5_126846
Leishmania braziliensis	protein kinase ck2 regulatory subunit, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Plasmodium yoelii	protein kinase Ck2-beta	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Echinococcus multilocularis	casein kinase ii subunit beta	Get druggable targets OG5_126846	All targets in OG5_126846
Babesia bovis	casein kinase II beta 4 subunit, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Plasmodium berghei	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Plasmodium knowlesi	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Trypanosoma brucei	Casein kinase II subunit beta, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Schistosoma japonicum	Casein kinase II subunit beta, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Candida albicans	Casein kinase II, regulatory (beta) subunit	Get druggable targets OG5_126846	All targets in OG5_126846
Trypanosoma brucei gambiense	protein kinase ck2 regulatory subunit, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Toxoplasma gondii	casein kinase ii regulatory subunit protein	Get druggable targets OG5_126846	All targets in OG5_126846
Candida albicans	Casein kinase II, regulatory (beta-prime) subunit	Get druggable targets OG5_126846	All targets in OG5_126846
Plasmodium berghei	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Leishmania donovani	Casein kinase II subunit beta, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Cryptosporidium parvum	putative protein kinase CK2 regulatory subunit CK2B1	Get druggable targets OG5_126846	All targets in OG5_126846
Plasmodium knowlesi	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Plasmodium falciparum	casein kinase II beta chain	Get druggable targets OG5_126846	All targets in OG5_126846
Schistosoma mansoni	casein kinase II beta subunit	Get druggable targets OG5_126846	All targets in OG5_126846
Cryptosporidium hominis	protein kinase Ck2-beta	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Entamoeba histolytica	casein kinase II regulatory subunit family protein	Get druggable targets OG5_126846	All targets in OG5_126846
Leishmania major	protein kinase ck2 regulatory subunit, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Neospora caninum	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Plasmodium vivax	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Leishmania mexicana	protein kinase ck2 regulatory subunit, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Cryptosporidium parvum	putative casein kinase II regulatory subunit; besthit Pf 23508244	Get druggable targets OG5_126846	All targets in OG5_126846
Theileria parva	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Giardia lamblia	Casein kinase II beta chain	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Leishmania infantum	protein kinase ck2 regulatory subunit, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Echinococcus granulosus	casein kinase ii subunit beta	Get druggable targets OG5_126846	All targets in OG5_126846
Onchocerca volvulus	Casein kinase II subunit beta homolog	Get druggable targets OG5_126846	All targets in OG5_126846
Neospora caninum	YOR039Wp-like protein, related	Get druggable targets OG5_126846	All targets in OG5_126846
Brugia malayi	Csnk2b protein	Get druggable targets OG5_126846	All targets in OG5_126846
Trypanosoma cruzi	Casein kinase II subunit beta, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Trypanosoma cruzi	Casein kinase II subunit beta, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Plasmodium yoelii	casein kinase ii beta chain	Get druggable targets OG5_126846	All targets in OG5_126846
Plasmodium vivax	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Entamoeba histolytica	casein kinase II regulatory subunit family protein	Get druggable targets OG5_126846	All targets in OG5_126846
Plasmodium falciparum	casein kinase II beta chain	Get druggable targets OG5_126846	All targets in OG5_126846
Theileria parva	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Entamoeba histolytica	casein kinase II regulatory subunit family protein	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Candida albicans	Casein kinase II, regulatory (beta-prime) subunit	Get druggable targets OG5_126846	All targets in OG5_126846
Trypanosoma congolense	Casein kinase II subunit beta, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Babesia bovis	protein kinase CK2 regulatory subunit CK2B1	Get druggable targets OG5_126846	All targets in OG5_126846
Loa Loa (eye worm)	Csnk2b protein	Get druggable targets OG5_126846	All targets in OG5_126846
Schistosoma japonicum	ko:K03115 casein kinase 2, beta polypeptide, putative	Get druggable targets OG5_126846	All targets in OG5_126846
Trichomonas vaginalis	casein kinase II beta chain, putative	Get druggable targets OG5_126846	All targets in OG5_126846

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
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Giardia lamblia	Casein kinase II beta chain	0.0044	0.1178	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.2074	0.1994
Schistosoma mansoni	acetylcholinesterase	0.0047	0.1286	0.1198
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Schistosoma mansoni	casein kinase II beta subunit	0.0044	0.1178	0.1089
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0047	0.1286	0.1198
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0073	0.2274	0.2196
Loa Loa (eye worm)	carboxylesterase	0.0047	0.1286	0.1286
Toxoplasma gondii	melibiase subfamily protein	0.011	0.3654	1
Echinococcus granulosus	acetylcholinesterase	0.0279	1	1
Echinococcus multilocularis	carboxylesterase 5A	0.0279	1	1
Brugia malayi	RNA binding protein	0.0068	0.2074	0.2074
Schistosoma mansoni	BC026374 protein (S09 family)	0.0047	0.1286	0.1198
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.011	0.3654	0.3586
Echinococcus multilocularis	acetylcholinesterase	0.0279	1	1
Schistosoma mansoni	gliotactin	0.0047	0.1286	0.1198
Echinococcus granulosus	neuroligin	0.0047	0.1286	0.1193
Brugia malayi	Carboxylesterase family protein	0.0047	0.1286	0.1286
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.011	0.3654	0.3589
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0044	0.1178	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.2074	0.1994
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0047	0.1286	1
Plasmodium falciparum	casein kinase II beta chain	0.0044	0.1178	1
Echinococcus granulosus	casein kinase ii subunit beta	0.0044	0.1178	0.1084
Onchocerca volvulus		0.0047	0.1286	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1286	0.1286
Toxoplasma gondii	ck2 beta subunit	0.0044	0.1178	0.3033
Echinococcus multilocularis	geminin	0.0176	0.6129	0.6088
Plasmodium vivax	casein kinase II beta chain, putative	0.0044	0.1178	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.2274	0.2274
Loa Loa (eye worm)	hypothetical protein	0.0279	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.2074	0.1994
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1286	0.1286
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0105	0.0014
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0105	0.0014
Brugia malayi	Melibiase family protein	0.0073	0.2274	0.2274
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.011	0.3654	0.3586
Echinococcus multilocularis	neuroligin	0.0047	0.1286	0.1193
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.2074	0.2074
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0105	0.0105
Echinococcus granulosus	BC026374 protein S09 family	0.0047	0.1286	0.1193
Onchocerca volvulus		0.0047	0.1286	0.0192
Brugia malayi	hypothetical protein	0.0245	0.8746	0.8746
Echinococcus granulosus	para nitrobenzyl esterase	0.0047	0.1286	0.1193
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0047	0.1286	0.5653
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0044	0.1178	0.3033
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0105	0.0005
Loa Loa (eye worm)	carboxylesterase	0.0047	0.1286	0.1286
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Onchocerca volvulus		0.0047	0.1286	0.0192
Brugia malayi	Carboxylesterase family protein	0.0047	0.1286	0.1286
Onchocerca volvulus		0.0047	0.1286	0.0192
Trypanosoma brucei	Casein kinase II subunit beta, putative	0.0044	0.1178	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1286	0.1286
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.011	0.3654	0.3586
Brugia malayi	Carboxylesterase family protein	0.0279	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.2074	0.2074
Brugia malayi	TAR-binding protein	0.0068	0.2074	0.2074
Brugia malayi	N-terminal motif family protein	0.0194	0.681	0.681
Schistosoma mansoni	hypothetical protein	0.005	0.1397	0.131
Brugia malayi	Csnk2b protein	0.0044	0.1178	0.1178
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0047	0.1286	0.1198
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0105	0.0105
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.2074	0.1994
Loa Loa (eye worm)	carboxylesterase	0.0279	1	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1286	0.1286
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0073	0.2274	0.2196
Echinococcus multilocularis	para nitrobenzyl esterase	0.0047	0.1286	0.1193
Plasmodium vivax	casein kinase II beta chain, putative	0.0044	0.1178	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0047	0.1286	1
Loa Loa (eye worm)	RNA binding protein	0.0068	0.2074	0.2074
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1286	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0194	0.681	0.681
Plasmodium falciparum	casein kinase II beta chain	0.0044	0.1178	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0047	0.1286	0.5653
Echinococcus granulosus	acetylcholinesterase	0.0279	1	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0047	0.1286	0.1193
Echinococcus multilocularis	casein kinase ii subunit beta	0.0044	0.1178	0.1084
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.011	0.3654	0.3589
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0044	0.1178	1
Echinococcus multilocularis	acetylcholinesterase	0.0279	1	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1286	0.1286
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0047	0.1286	0.1193
Echinococcus multilocularis	survival motor neuron protein 1	0.0245	0.8746	0.8733
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.011	0.3654	0.3589
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0047	0.1286	1
Brugia malayi	Carboxylesterase family protein	0.0047	0.1286	0.1286
Schistosoma mansoni	hypothetical protein	0.0176	0.6129	0.609
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1286	0.1286
Brugia malayi	hypothetical protein	0.0047	0.1286	0.1286
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.2074	0.1994
Echinococcus granulosus	survival motor neuron protein 1	0.0245	0.8746	0.8733
Schistosoma mansoni	survival motor neuron protein	0.005	0.1397	0.131
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.2074	0.199
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0047	0.1286	0.1198
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0044	0.1178	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Echinococcus granulosus	geminin	0.0176	0.6129	0.6088
Loa Loa (eye worm)	acetylcholinesterase 1	0.0279	1	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.011	0.3654	0.3589
Loa Loa (eye worm)	hypothetical protein	0.0279	1	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0194	0.681	1
Loa Loa (eye worm)	Csnk2b protein	0.0044	0.1178	0.1178
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.2074	0.2074
Brugia malayi	Carboxylesterase family protein	0.0047	0.1286	0.1286
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0044	0.1178	1
Onchocerca volvulus		0.0047	0.1286	0.0192
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.0044	0.1178	1
Onchocerca volvulus		0.005	0.1397	0.039
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0073	0.2274	1
Loa Loa (eye worm)	hypothetical protein	0.0245	0.8746	0.8746
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0105	0.0105
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.1397	0.1397
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0047	0.1286	0.1193
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0047	0.1286	0.1198
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1178	0.5178
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0279	1	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0047	0.1286	0.5
Echinococcus granulosus	carboxylesterase 5A	0.0279	1	1
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0044	0.1178	1
Echinococcus granulosus	tar DNA binding protein	0.0068	0.2074	0.199
Schistosoma mansoni	hypothetical protein	0.0176	0.6129	0.609

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.18 uM	Inhibition of recombinant human CK2 using RRRDDDSDDD as substrate after 20 mins by beta counting analysis in presence of [gamma-labeled 32P]ATP	ChEMBL.	24011954

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: CHEMBL2442528

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 1791199