Detailed information for compound 2110882

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 274.085 | Formula: C16H10N4O
  • H donors: 1 H acceptors: 3 LogP: 2.85 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 0
  • SMILES: N#Cc1cc2cnccc2c2c1c1ccc(nc1[nH]2)OC
  • InChi: InChI=1S/C16H10N4O/c1-21-13-3-2-12-14-9(7-17)6-10-8-18-5-4-11(10)15(14)20-16(12)19-13/h2-6,8H,1H3,(H,19,20)
  • InChiKey: RWAVDFHFFDMSHX-UHFFFAOYSA-N  

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 dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A References
Homo sapiens CDC-like kinase 3 References
Homo sapiens CDC-like kinase 1 References
Homo sapiens CDC-like kinase 4 References
Homo sapiens dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1B References
Homo sapiens cyclin-dependent kinase 5, regulatory subunit 1 (p35) References
Homo sapiens CDC-like kinase 2 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium yoelii protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum ko:K08823 CDC-like kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 Get druggable targets OG5_133447 All targets in OG5_133447
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium parvum serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Giardia lamblia Kinase, CMGC CLK Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Theileria parva serine/threonine protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni cyclin-dependent kinase 5 activator Get druggable targets OG5_133447 All targets in OG5_133447
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum expressed protein Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) CMGC/CLK protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei kinetoplastid kinetochore protein 10 Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum Cyclin-dependent kinase 5 activator 2 precursor, putative Get druggable targets OG5_133447 All targets in OG5_133447
Babesia bovis protein serine/threonine kinase 1 Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei kinetoplastid kinetochore protein 19 Get druggable targets OG5_126990 All targets in OG5_126990
Neospora caninum hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium vivax serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum Serine/threonine-protein kinase Doa, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Plasmodium falciparum protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus cyclin dependent kinase 5 activator 1 Get druggable targets OG5_133447 All targets in OG5_133447
Leishmania mexicana Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium hominis serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium berghei serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990

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
Schistosoma mansoni serine/threonine protein kinase 0.0293 0.8325 0.8264
Entamoeba histolytica hypothetical protein 0.0218 0.0353 0.5
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0293 0.8325 1
Loa Loa (eye worm) hypothetical protein 0.029 0.7972 0.7972
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0309 1 1
Entamoeba histolytica protein kinase, putative 0.0218 0.0353 0.5
Echinococcus multilocularis 0.029 0.7972 0.7898
Loa Loa (eye worm) hypothetical protein 0.0309 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0293 0.8325 0.8264
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0309 1 1
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0293 0.8325 0.5
Plasmodium vivax serine/threonine kinase-1, putative 0.0293 0.8325 0.5
Brugia malayi Protein kinase domain containing protein 0.0293 0.8325 1
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0293 0.8325 0.8325
Leishmania major protein kinase, putative 0.0293 0.8325 1
Trichomonas vaginalis CMGC family protein kinase 0.0293 0.8325 0.5
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0293 0.8325 1
Echinococcus multilocularis dual specificity protein kinase clk2 0.0293 0.8325 0.8264
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0293 0.8325 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0218 0.0353 0.0353
Echinococcus granulosus dual specificity protein kinase clk2 0.0293 0.8325 0.8264
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0293 0.8325 1
Echinococcus granulosus hypothetical protein 0.029 0.7972 0.7898
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0293 0.8325 1
Entamoeba histolytica protein kinase, putative 0.0218 0.0353 0.5
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0293 0.8325 1
Leishmania major protein kinase, putative 0.0293 0.8325 1
Plasmodium falciparum protein serine/threonine kinase-1 0.0293 0.8325 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0218 0.0353 0.5
Giardia lamblia Kinase, CMGC CLK 0.0293 0.8325 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.047 uM Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis LITERATURE. 27676471
IC50 (binding) = 0.086 uM Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis LITERATURE. 27676471
IC50 (binding) = 0.093 uM Inhibition of GST-tagged human recombinant DYRK1B expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis LITERATURE. 27676471
IC50 (binding) = 0.2 uM Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis LITERATURE. 27676471
IC50 (binding) = 4.6 uM Inhibition of GST-tagged human recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis LITERATURE. 27676471
IC50 (binding) > 10 uM Inhibition of GST-tagged human recombinant CLK3 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis LITERATURE. 27676471
IC50 (binding) > 10 uM Inhibition of human recombinant CDK5/p25 using histone H1 as substrate after 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis LITERATURE. 27676471

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.

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