Detailed information for compound 1778278

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 327.336 | Formula: C20H13N3O2
  • H donors: 2 H acceptors: 3 LogP: 4.5 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#Cc1cccc(c1)Nc1nc2cc(ccc2n2c1ccc2)C(=O)O
  • InChi: 1S/C20H13N3O2/c1-2-13-5-3-6-15(11-13)21-19-18-7-4-10-23(18)17-9-8-14(20(24)25)12-16(17)22-19/h1,3-12H,(H,21,22)(H,24,25)
  • InChiKey: YRBITCLDQPXZMM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
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
Trypanosoma brucei Casein kinase II subunit beta, 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
Neospora caninum 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
Trypanosoma cruzi Casein kinase II subunit beta, 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
Candida albicans Casein kinase II, regulatory (beta) 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
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
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
Plasmodium vivax 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
Plasmodium yoelii 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
Schistosoma japonicum Casein kinase II subunit beta, 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
Neospora caninum YOR039Wp-like protein, related 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
Candida albicans Casein kinase II, regulatory (beta-prime) 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
Cryptosporidium hominis protein kinase Ck2-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
Leishmania mexicana protein kinase ck2 regulatory subunit, 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 falciparum casein kinase II beta chain 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
Trypanosoma brucei gambiense protein kinase ck2 regulatory subunit, 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
Schistosoma mansoni casein kinase II beta subunit 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
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
Echinococcus multilocularis casein kinase ii subunit beta 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
Giardia lamblia 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
Plasmodium falciparum 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
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
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
Toxoplasma gondii casein kinase ii regulatory subunit 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
Leishmania major protein kinase ck2 regulatory subunit, 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
Entamoeba histolytica casein kinase II regulatory subunit family protein 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
Schistosoma japonicum ko:K03115 casein kinase 2, beta polypeptide, putative 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
Trichomonas vaginalis 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
Candida albicans Casein kinase II, regulatory (beta) 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
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
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0044 0.6336 0.6336
Brugia malayi SH2 domain containing protein 0.0052 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Echinococcus multilocularis tyrosine protein kinase shark 0.0052 1 1
Loa Loa (eye worm) Csnk2b protein 0.0044 0.6336 0.6336
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0052 1 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0052 1 1
Echinococcus granulosus tyrosine kinase 0.0052 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0052 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Schistosoma mansoni casein kinase II beta subunit 0.0044 0.6336 0.6336
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0044 0.6336 0.5
Onchocerca volvulus 0.0052 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Schistosoma mansoni tyrosine kinase 0.0052 1 1
Echinococcus granulosus tyrosine kinase 0.0052 1 1
Onchocerca volvulus 0.0052 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0052 1 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0052 1 1
Onchocerca volvulus 0.0052 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0052 1 1
Leishmania major protein kinase ck2 regulatory subunit, putative 0.0044 0.6336 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0052 1 1
Toxoplasma gondii casein kinase ii regulatory subunit protein 0.0044 0.6336 0.5
Loa Loa (eye worm) TK protein kinase 0.0052 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0052 1 1
Plasmodium falciparum casein kinase II beta chain 0.0044 0.6336 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0052 1 1
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0052 1 1
Echinococcus granulosus c src tyrosine kinase 0.0052 1 1
Schistosoma mansoni tyrosine kinase 0.0052 1 1
Brugia malayi Csnk2b protein 0.0044 0.6336 0.6336
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Echinococcus multilocularis c src tyrosine kinase 0.0052 1 1
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0052 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Echinococcus granulosus casein kinase ii subunit beta 0.0044 0.6336 0.6336
Echinococcus multilocularis casein kinase ii subunit beta 0.0044 0.6336 0.6336
Echinococcus multilocularis tyrosine kinase 0.0052 1 1
Onchocerca volvulus 0.0052 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Plasmodium vivax casein kinase II beta chain, putative 0.0044 0.6336 0.5
Echinococcus granulosus tyrosine protein kinase shark 0.0052 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0052 1 1
Loa Loa (eye worm) TK/ABL protein kinase 0.0052 1 1
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0044 0.6336 0.6336
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0044 0.6336 0.6336
Onchocerca volvulus 0.0052 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0052 1 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0052 1 1
Schistosoma mansoni tyrosine kinase 0.0052 1 1
Toxoplasma gondii ck2 beta subunit 0.0044 0.6336 0.5
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0052 1 1
Brugia malayi SRC-1 0.0052 1 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0052 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Brugia malayi Tyrosine-protein kinase abl-1 0.0052 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0052 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0052 1 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0052 1 1
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0044 0.6336 0.6336
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Onchocerca volvulus 0.0052 1 1
Giardia lamblia Casein kinase II beta chain 0.0044 0.6336 0.5
Trypanosoma brucei Casein kinase II subunit beta, putative 0.0044 0.6336 0.5
Schistosoma mansoni tyrosine kinase 0.0052 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0052 1 1
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0044 0.6336 0.5
Brugia malayi Protein kinase domain containing protein 0.0052 1 1
Loa Loa (eye worm) SRC-1 0.0052 1 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0052 1 1
Echinococcus granulosus tyrosine protein kinase Srms 0.0052 1 1
Schistosoma mansoni tyrosine kinase 0.0052 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Brugia malayi Protein kinase domain containing protein 0.0052 1 1
Echinococcus granulosus tyrosine protein kinase Blk 0.0052 1 1
Brugia malayi SH2 domain containing protein 0.0052 1 1
Brugia malayi Protein kinase domain containing protein 0.0052 1 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0052 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Echinococcus multilocularis tyrosine protein kinase Blk 0.0052 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0052 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.0052 1 1
Brugia malayi Protein kinase domain containing protein 0.0052 1 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0052 1 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0052 1 1
Plasmodium falciparum casein kinase II beta chain 0.0044 0.6336 0.5
Plasmodium vivax casein kinase II beta chain, putative 0.0044 0.6336 0.5
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0052 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0052 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.6336 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0052 1 1
Schistosoma mansoni tyrosine kinase 0.0052 1 1
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0044 0.6336 0.6336
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Brugia malayi hypothetical protein 0.0052 1 1
Brugia malayi protein-tyrosine kinase 0.0052 1 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 50 uM Cytotoxicity against human PHA-activated PBMC after 1 to 3 days by MTS assay ChEMBL. 23711832
IC50 (binding) = 0.078 uM Inhibition of human recombinant CK2 expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD as substrate after 15 mins by capillary electrophoretic analysis ChEMBL. 23711832
Inhibition (binding) = 95 % Inhibition of human recombinant CK2 expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD as substrate at 10 uM after 15 mins by capillary electrophoretic analysis relative to control ChEMBL. 23711832

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

1 literature reference was collected for this gene.

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