TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 316.736 | Formula: C17H13ClO4
H donors: 1 H acceptors: 2 LogP: 3.79 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1O)c1cc(=O)c2c(o1)cc(c(c2)Cl)C
InChi: 1S/C17H13ClO4/c1-9-5-16-11(7-12(9)18)14(20)8-15(22-16)10-3-4-13(19)17(6-10)21-2/h3-8,19H,1-2H3
InChiKey: IRDNLBJYBJGZKE-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
Entamoeba histolytica	casein kinase II regulatory subunit family protein	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
Plasmodium vivax	casein kinase II beta chain, putative	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
Leishmania mexicana	protein kinase ck2 regulatory 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
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
Plasmodium yoelii	casein kinase ii beta chain	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
Candida albicans	Casein kinase II, regulatory (beta) subunit	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
Plasmodium knowlesi	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
Leishmania major	protein kinase ck2 regulatory subunit, putative	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
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
Trichomonas vaginalis	casein kinase II beta chain, 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
Plasmodium knowlesi	casein kinase II beta chain, 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
Trypanosoma congolense	Casein kinase II subunit beta, 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
Trichomonas vaginalis	casein kinase II beta chain, 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
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
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
Plasmodium vivax	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
Candida albicans	Casein kinase II, regulatory (beta-prime) 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
Babesia bovis	protein kinase CK2 regulatory subunit CK2B1	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
Neospora caninum	YOR039Wp-like protein, related	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
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-prime) subunit	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
Trichomonas vaginalis	casein kinase II beta chain, 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
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
Echinococcus multilocularis	casein kinase ii subunit beta	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
Schistosoma japonicum	ko:K03115 casein kinase 2, beta polypeptide, putative	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
Theileria parva	casein kinase II beta chain, putative	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
Loa Loa (eye worm)	Csnk2b 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
Onchocerca volvulus	Casein kinase II subunit beta homolog	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
Leishmania donovani	Casein kinase II subunit beta, 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

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	axis inhibition protein axin	0.0076	0.0445	0.0498
Echinococcus granulosus	regulator of G protein signaling 3	0.0076	0.0445	0.0498
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0076	0.0445	0.0498
Schistosoma mansoni	regulator of G protein signaling	0.0076	0.0445	0.0445
Brugia malayi	hypothetical protein	0.0076	0.0445	0.0445
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0076	0.0445	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0445	0.0445
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0076	0.0445	0.0445
Entamoeba histolytica	hypothetical protein	0.0076	0.0445	1
Schistosoma mansoni	regulator of G protein signaling	0.0076	0.0445	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0445	0.0445
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0078	0.0471	0.0527
Plasmodium falciparum	casein kinase II beta chain	0.0044	0	0.5
Echinococcus granulosus	regulator of G protein signaling 3	0.0076	0.0445	0.0498
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0076	0.0445	0.0498
Loa Loa (eye worm)	PXA domain-containing protein	0.0076	0.0445	0.0445
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0044	0	0.5
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0078	0.0471	0.0527
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0076	0.0445	0.0445
Echinococcus multilocularis	axis inhibition protein axin	0.0076	0.0445	0.0498
Schistosoma mansoni	serine/threonine protein kinase	0.0078	0.0471	0.0471
Schistosoma mansoni	regulator of G protein signaling	0.0076	0.0445	0.0445
Schistosoma mansoni	axis inhibition protein axin	0.0076	0.0445	0.0445
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0044	0	0.5
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0044	0	0.5
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0765	1	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0445	0.0445
Trypanosoma brucei	Casein kinase II subunit beta, putative	0.0044	0	0.5
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.0689	0.8941	1
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.0044	0	0.5
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0076	0.0445	0.0445
Schistosoma mansoni	regulator of G protein signaling	0.0076	0.0445	0.0445
Schistosoma mansoni	serine/threonine protein kinase	0.0765	1	1
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.0689	0.8941	0.8941
Giardia lamblia	Casein kinase II beta chain	0.0044	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0076	0.0445	1
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0689	0.8941	0.8941
Echinococcus multilocularis	axis inhibition protein axin	0.0076	0.0445	0.0498
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0044	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0076	0.0445	1
Echinococcus multilocularis	regulator of G protein signaling 7	0.0076	0.0445	0.0498
Brugia malayi	PXA domain containing protein	0.0076	0.0445	0.0445
Schistosoma mansoni	axis inhibition protein axin	0.0076	0.0445	0.0445
Trichomonas vaginalis	conserved hypothetical protein	0.0076	0.0445	1
Brugia malayi	regulator of G-protein signaling egl-10	0.0076	0.0445	0.0445
Trichomonas vaginalis	conserved hypothetical protein	0.0076	0.0445	1
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0078	0.0471	0.0471
Brugia malayi	hypothetical protein	0.0076	0.0445	0.0445
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0076	0.0445	0.0445
Echinococcus multilocularis	regulator of G protein signaling	0.0076	0.0445	0.0498
Schistosoma mansoni	regulator of G protein signaling	0.0076	0.0445	0.0445
Echinococcus granulosus	regulator of G protein signaling 7	0.0076	0.0445	0.0498
Toxoplasma gondii	ck2 beta subunit	0.0044	0	0.5
Echinococcus multilocularis	regulator of G protein signaling 3	0.0076	0.0445	0.0498
Schistosoma mansoni	serine/threonine protein kinase	0.0078	0.0471	0.0471
Brugia malayi	PXA domain containing protein	0.0076	0.0445	0.0445
Echinococcus granulosus	regulator of G protein signaling 7	0.0076	0.0445	0.0498
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0445	0.0445
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0076	0.0445	0.0445
Echinococcus multilocularis	regulator of G protein signaling 7	0.0076	0.0445	0.0498
Entamoeba histolytica	hypothetical protein	0.0076	0.0445	1
Echinococcus granulosus	axis inhibition protein axin	0.0076	0.0445	0.0498
Loa Loa (eye worm)	RGS-3 protein	0.0076	0.0445	0.0445
Plasmodium vivax	casein kinase II beta chain, putative	0.0044	0	0.5
Echinococcus multilocularis	expressed protein	0.0076	0.0445	0.0498
Plasmodium vivax	casein kinase II beta chain, putative	0.0044	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0076	0.0445	1
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.0689	0.8941	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0445	0.0445
Brugia malayi	regulator of G-protein signaling rgs-7	0.0076	0.0445	0.0445
Echinococcus multilocularis	regulator of G protein signaling 3	0.0076	0.0445	0.0498
Plasmodium falciparum	casein kinase II beta chain	0.0044	0	0.5
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0044	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0445	0.0445
Schistosoma mansoni	z-protein (S1r protein)	0.0076	0.0445	0.0445
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0076	0.0445	0.0445
Echinococcus granulosus	Regulator of G protein signaling 20	0.0076	0.0445	0.0498
Entamoeba histolytica	hypothetical protein	0.0076	0.0445	1
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0076	0.0445	0.0498
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0689	0.8941	0.8941
Echinococcus granulosus	expressed protein	0.0076	0.0445	0.0498
Brugia malayi	A-kinase anchor protein 10, precursor	0.0076	0.0445	0.0445
Trichomonas vaginalis	conserved hypothetical protein	0.0076	0.0445	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.79 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: CHEMBL2442423

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 1790728