Detailed information for compound 2168654

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 428.202 | Formula: C23H26F2N4O2
  • H donors: 2 H acceptors: 2 LogP: 3.63 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 0
  • SMILES: COCCN1CCC(CC1)CNC(=O)c1n[nH]c2c1cc(cc2)c1cccc(c1F)F
  • InChi: InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)
  • InChiKey: QCLXNOBXQUWUEW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens CDC-like kinase 1 References
Homo sapiens glycogen synthase kinase 3 alpha References
Homo sapiens adrenergic, beta, receptor kinase 1 References
Homo sapiens dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A References
Homo sapiens dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 2 References
Homo sapiens glycogen synthase kinase 3 beta References
Homo sapiens LYN proto-oncogene, Src family tyrosine kinase References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131467 All targets in OG5_131467
Giardia lamblia Kinase, CMGC GSK Get druggable targets OG5_126888 All targets in OG5_126888
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 Get druggable targets OG5_127439 All targets in OG5_127439
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Candida albicans weaker similarity to S. cerevisiae YAK1 (YJL141C) Get druggable targets OG5_127439 All targets in OG5_127439
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative Get druggable targets OG5_127439 All targets in OG5_127439
Trypanosoma brucei kinetoplastid kinetochore protein 19 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis beta adrenergic receptor kinase Get druggable targets OG5_131467 All targets in OG5_131467
Leishmania braziliensis protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Candida albicans hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania donovani glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Neospora caninum hypothetical protein Get druggable targets OG5_127439 All targets in OG5_127439
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127439 All targets in OG5_127439
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum expressed protein Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans second truncated form of RIM11 Serine/threonine protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi CMGC/DYRK 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 yoelii protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania donovani dual-specificity protein kinase, putative Get druggable targets OG5_127439 All targets in OG5_127439
Echinococcus granulosus dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Cryptosporidium parvum serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium knowlesi serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) AGC/GRK/BARK protein kinase Get druggable targets OG5_131467 All targets in OG5_131467
Echinococcus multilocularis G protein coupled receptor kinase 1 Get druggable targets OG5_131467 All targets in OG5_131467
Trypanosoma brucei gambiense protein kinase, putative,dual-specificity protein kinase, putative Get druggable targets OG5_127439 All targets in OG5_127439
Cryptosporidium hominis serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus dual specificity Get druggable targets OG5_127439 All targets in OG5_127439
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative Get druggable targets OG5_127439 All targets in OG5_127439
Trypanosoma congolense kinetoplastid kinetochore protein, putative 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_127439 All targets in OG5_127439
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Candida albicans second truncated form of RIM11 Serine/threonine protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania infantum glycogen synthase kinase 3 Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Plasmodium berghei serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania mexicana Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus beta-adrenergic receptor kinase Get druggable targets OG5_131467 All targets in OG5_131467
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Neospora caninum hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) CMGC/CLK protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Theileria parva glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus multilocularis glycogen synthase kinase 3 beta Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 Get druggable targets OG5_126888 All targets in OG5_126888
Giardia lamblia Kinase, CMGC DYRK Get druggable targets OG5_127439 All targets in OG5_127439
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Plasmodium berghei glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus multilocularis dual specificity Get druggable targets OG5_127439 All targets in OG5_127439
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_127439 All targets in OG5_127439
Echinococcus granulosus dual specificity Get druggable targets OG5_127439 All targets in OG5_127439
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania braziliensis protein kinase, putative,dual-specificity protein kinase, putative Get druggable targets OG5_127439 All targets in OG5_127439
Trypanosoma cruzi glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Giardia lamblia Kinase, CMGC GSK Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium vivax serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis dual specificity Get druggable targets OG5_127439 All targets in OG5_127439
Candida albicans Serine/threonine protein kinase required for induction of IME2 by Ime1p Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania infantum protein kinase, putative,dual-specificity protein kinase, putative Get druggable targets OG5_127439 All targets in OG5_127439
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum Serine/threonine-protein kinase Doa, 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
Echinococcus multilocularis dual specificity Get druggable targets OG5_127439 All targets in OG5_127439
Plasmodium vivax glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania mexicana protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131467 All targets in OG5_131467
Neospora caninum hypothetical protein 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
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania mexicana protein kinase-like protein Get druggable targets OG5_127439 All targets in OG5_127439
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131467 All targets in OG5_131467
Loa Loa (eye worm) CMGC/GSK protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma brucei gambiense protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Theileria parva serine/threonine protein kinase, 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
Echinococcus granulosus glycogen synthase kinase 3 beta Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma mansoni serine/threonine protein kinase 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
Plasmodium falciparum protein serine/threonine kinase-1 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127439 All targets in OG5_127439
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_127439 All targets in OG5_127439
Giardia lamblia Kinase, CMGC CLK Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium falciparum glycogen synthase kinase 3 Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative Get druggable targets OG5_127439 All targets in OG5_127439
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Onchocerca volvulus Get druggable targets OG5_126888 All targets in OG5_126888
Babesia bovis protein serine/threonine kinase 1 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_127439 All targets in OG5_127439
Candida albicans weaker similarity to S. cerevisiae YAK1 (YJL141C) Get druggable targets OG5_127439 All targets in OG5_127439
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127439 All targets in OG5_127439
Schistosoma japonicum G protein-coupled receptor kinase 1, putative Get druggable targets OG5_131467 All targets in OG5_131467
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus G protein coupled receptor kinase 1 Get druggable targets OG5_131467 All targets in OG5_131467
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Entamoeba histolytica protein kinase, putative 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 major protein kinase, putative,dual-specificity protein kinase, putative Get druggable targets OG5_127439 All targets in OG5_127439
Schistosoma japonicum ko:K08822 glycogen synthase kinase 3 alpha, putative Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium knowlesi glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_127439 All targets in OG5_127439
Schistosoma japonicum ko:K08825 dual-specificity tyrosine-(Y)-phosphorylation regulated kinase, putative Get druggable targets OG5_127439 All targets in OG5_127439
Echinococcus multilocularis protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase Get druggable targets OG5_127439 All targets in OG5_127439
Echinococcus granulosus dual specificity Get druggable targets OG5_127439 All targets in OG5_127439
Schistosoma japonicum ko:K08823 CDC-like kinase, 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
Loa Loa (eye worm) CMGC/GSK protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania mexicana protein kinase, putative,dual-specificity protein kinase, putative Get druggable targets OG5_127439 All targets in OG5_127439
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum ko:K00924 G-protein-coupled Receptor Kinase [EC:2.7.1.-], putative Get druggable targets OG5_131467 All targets in OG5_131467
Brugia malayi intracellular kinase Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania major protein kinase, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_127439 All targets in OG5_127439
Candida albicans Serine/threonine 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
Trypanosoma congolense dual-specificity protein kinase, putative Get druggable targets OG5_127439 All targets in OG5_127439
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
Leishmania major protein kinase, putative 0.0076 0.6176 0.1717
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0067 0.5384 0.5379
Echinococcus multilocularis regulator of G protein signaling 7 0.0012 0.042 0.042
Trichomonas vaginalis CMGC family protein kinase 0.0067 0.5384 0.5181
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.9697 0.9697
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0009 0.0186 0.0186
Echinococcus multilocularis c src tyrosine kinase 0.001 0.0301 0.0301
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0301 0.0301
Schistosoma mansoni regulator of G protein signaling 0.0012 0.042 0.042
Echinococcus granulosus NCK adaptor protein 0.0009 0.0186 0.0186
Brugia malayi hypothetical protein 0.0012 0.042 0.041
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0118 1 1
Loa Loa (eye worm) PXA domain-containing protein 0.0012 0.042 0.041
Entamoeba histolytica protein kinase domain containing protein 0.011 0.9305 0.9305
Trichomonas vaginalis CMGC family protein kinase 0.0118 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0067 0.5384 0.5181
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.011 0.9305 0.9304
Entamoeba histolytica hypothetical protein 0.0012 0.042 0.042
Echinococcus multilocularis protein kinase shaggy 0.0118 1 1
Schistosoma mansoni nck2/grb4 0.0009 0.0186 0.0186
Brugia malayi Protein kinase domain containing protein 0.0076 0.6176 0.6172
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.0186 0.0186
Echinococcus granulosus regulator of G protein signaling 3 0.0012 0.042 0.042
Echinococcus multilocularis regulator of G protein signaling 3 0.0012 0.042 0.042
Echinococcus granulosus dual specificity 0.011 0.9305 0.9305
Brugia malayi Regulator of G protein signaling domain containing protein 0.0012 0.042 0.041
Brugia malayi regulator of G-protein signaling rgs-7 0.0012 0.042 0.041
Schistosoma mansoni serine/threonine protein kinase 0.011 0.9305 0.9305
Trichomonas vaginalis CMGC family protein kinase 0.0067 0.5384 0.5181
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0008 0.0063 0.0063
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0301 0.0301
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.011 0.9305 0.8494
Echinococcus granulosus protein kinase shaggy 0.0118 1 1
Schistosoma mansoni adapter molecule crk 0.0009 0.0186 0.0186
Entamoeba histolytica hypothetical protein 0.0012 0.042 0.042
Loa Loa (eye worm) SRC-1 0.001 0.0301 0.0291
Schistosoma mansoni regulator of G protein signaling 0.0012 0.042 0.042
Echinococcus multilocularis dual specificity 0.0067 0.5384 0.5384
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0118 1 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.011 0.9305 0.8494
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0076 0.6176 0.6172
Giardia lamblia Kinase, CMGC GSK 0.0118 1 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0076 0.6176 0.1717
Loa Loa (eye worm) hypothetical protein 0.0012 0.042 0.041
Brugia malayi PXA domain containing protein 0.0012 0.042 0.041
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0076 0.6176 0.1717
Schistosoma mansoni tyrosine kinase 0.001 0.0301 0.0301
Echinococcus multilocularis tyrosine protein kinase Fgr 0.001 0.0301 0.0301
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0076 0.6176 0.1717
Echinococcus granulosus expressed protein 0.0012 0.042 0.042
Echinococcus granulosus axis inhibition protein axin 0.0012 0.042 0.042
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.001 0.0301 0.0301
Echinococcus granulosus dual specificity protein kinase clk2 0.0076 0.6176 0.6176
Entamoeba histolytica hypothetical protein 0.011 0.9305 0.9305
Echinococcus granulosus dual specificity 0.0067 0.5384 0.5384
Schistosoma mansoni tyrosine kinase 0.001 0.0301 0.0301
Entamoeba histolytica protein kinase, putative 0.0118 1 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0012 0.042 0.041
Echinococcus multilocularis dual specificity protein kinase clk2 0.0076 0.6176 0.6176
Onchocerca volvulus 0.0118 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.9697 0.9697
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.0301 0.0291
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0118 1 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0118 1 1
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0009 0.0186 0.0176
Echinococcus granulosus hypothetical protein 0.0072 0.5901 0.5901
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.001 0.0301 0.0301
Echinococcus multilocularis Regulator of G protein signaling 20 0.0012 0.042 0.042
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0115 0.9697 0.9696
Brugia malayi Protein kinase domain containing protein 0.011 0.9305 0.9304
Loa Loa (eye worm) hypothetical protein 0.0012 0.042 0.041
Plasmodium falciparum glycogen synthase kinase 3 0.0118 1 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.9029 0.9028
Brugia malayi SRC-1 0.001 0.0301 0.0291
Echinococcus granulosus growth factor receptor bound protein 2 0.0009 0.0186 0.0186
Schistosoma mansoni serine/threonine protein kinase 0.0076 0.6176 0.6176
Loa Loa (eye worm) hypothetical protein 0.0107 0.9029 0.9028
Leishmania major protein kinase, putative 0.0076 0.6176 0.1717
Loa Loa (eye worm) hypothetical protein 0.0012 0.042 0.041
Entamoeba histolytica protein kinase domain containing protein 0.0118 1 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.0301 0.0301
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0012 0.042 0.042
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0186 0.0176
Echinococcus multilocularis beta adrenergic receptor kinase 0.0115 0.9697 0.9697
Entamoeba histolytica protein kinase, putative 0.0067 0.5384 0.5384
Brugia malayi hypothetical protein 0.0012 0.042 0.041
Echinococcus granulosus regulator of G protein signaling 7 0.0012 0.042 0.042
Echinococcus granulosus beta-adrenergic receptor kinase 0.0115 0.9697 0.9697
Entamoeba histolytica protein kinase, putative 0.011 0.9305 0.9305
Echinococcus multilocularis G protein coupled receptor kinase 1 0.0103 0.8655 0.8655
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0301 0.0301
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0076 0.6176 0.1717
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0076 0.6176 0.1717
Brugia malayi regulator of G-protein signaling egl-10 0.0012 0.042 0.041
Trichomonas vaginalis CMGC family protein kinase 0.0118 1 1
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0186 0.0176
Echinococcus granulosus G protein coupled receptor kinase 1 0.0103 0.8655 0.8655
Schistosoma mansoni axis inhibition protein axin 0.0012 0.042 0.042
Schistosoma mansoni serine/threonine protein kinase 0.0076 0.6176 0.6176
Echinococcus granulosus dual specificity 0.0067 0.5384 0.5384
Entamoeba histolytica hypothetical protein 0.0012 0.042 0.042
Plasmodium vivax glycogen synthase kinase 3, putative 0.0118 1 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0118 1 1
Schistosoma mansoni vav2 0.0007 0.001 0.001
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0118 1 1
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0015 0.0695 0.0686
Brugia malayi Regulator of G protein signaling domain containing protein 0.0012 0.042 0.041
Entamoeba histolytica protein kinase domain containing protein 0.0118 1 1
Brugia malayi PXA domain containing protein 0.0012 0.042 0.041
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.001 0.0301 0.0301
Entamoeba histolytica protein kinase domain containing protein 0.0067 0.5384 0.5384
Echinococcus granulosus tyrosine protein kinase Src64B 0.001 0.0301 0.0301
Echinococcus multilocularis tyrosine protein kinase Src42A 0.001 0.0301 0.0301
Loa Loa (eye worm) RGS-3 protein 0.0012 0.042 0.041
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0118 1 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.0009 0.0186 0.0186
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.5384 0.5384
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0067 0.5384 0.5379
Loa Loa (eye worm) hypothetical protein 0.0012 0.042 0.041
Trypanosoma brucei protein kinase, putative 0.0118 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0301 0.0301
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.001 0.0301 0.0301
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0015 0.0695 0.0686
Echinococcus multilocularis axis inhibition protein axin 0.0012 0.042 0.042
Trichomonas vaginalis CMGC family protein kinase 0.0067 0.5384 0.5181
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.001 0.0301 0.0301
Schistosoma mansoni regulator of G protein signaling 0.0012 0.042 0.042
Echinococcus multilocularis axis inhibition protein axin 0.0012 0.042 0.042
Entamoeba histolytica protein kinase, putative 0.011 0.9305 0.9305
Echinococcus granulosus dual specificity 0.0067 0.5384 0.5384
Echinococcus granulosus Regulator of G protein signaling 20 0.0012 0.042 0.042
Loa Loa (eye worm) hypothetical protein 0.0009 0.0186 0.0176
Schistosoma mansoni serine/threonine protein kinase 0.0015 0.0695 0.0695
Echinococcus granulosus tyrosine protein kinase Lyn 0.0013 0.0577 0.0577
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0009 0.0186 0.0176
Loa Loa (eye worm) hypothetical protein 0.0012 0.042 0.041
Trichomonas vaginalis CMGC family protein kinase 0.0067 0.5384 0.5181
Echinococcus multilocularis regulator of G protein signaling 3 0.0012 0.042 0.042
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.011 0.9305 0.8494
Schistosoma mansoni tyrosine kinase 0.001 0.0301 0.0301
Trichomonas vaginalis CMGC family protein kinase 0.0076 0.6176 0.6009
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0301 0.0301
Schistosoma mansoni z-protein (S1r protein) 0.0012 0.042 0.042
Echinococcus multilocularis regulator of G protein signaling 7 0.0012 0.042 0.042
Echinococcus multilocularis dual specificity 0.011 0.9305 0.9305
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.0301 0.0301
Giardia lamblia Kinase, CMGC GSK 0.0118 1 1
Echinococcus multilocularis 0.0072 0.5901 0.5901
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0012 0.042 0.042
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.0301 0.0301
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.011 0.9305 0.8494
Echinococcus granulosus regulator of G protein signaling 7 0.0012 0.042 0.042
Giardia lamblia Kinase, CMGC CLK 0.0076 0.6176 0.1717
Echinococcus granulosus tyrosine protein kinase Src42A 0.001 0.0301 0.0301
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0076 0.6176 0.1717
Echinococcus granulosus c src tyrosine kinase 0.001 0.0301 0.0301
Schistosoma mansoni regulator of G protein signaling 0.0012 0.042 0.042
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0012 0.042 0.042
Loa Loa (eye worm) hypothetical protein 0.0072 0.5901 0.5897
Loa Loa (eye worm) hypothetical protein 0.0012 0.042 0.041
Echinococcus multilocularis tyrosine protein kinase Src64B 0.001 0.0301 0.0301
Echinococcus granulosus axis inhibition protein axin 0.0012 0.042 0.042
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0012 0.042 0.042
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.0186 0.0186
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0076 0.6176 0.1717
Entamoeba histolytica protein kinase, putative 0.0008 0.0063 0.0063
Echinococcus multilocularis expressed protein 0.0012 0.042 0.042
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.0301 0.0301
Schistosoma mansoni axis inhibition protein axin 0.0012 0.042 0.042
Brugia malayi A-kinase anchor protein 10, precursor 0.0012 0.042 0.041
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0118 1 1
Brugia malayi Sex muscle abnormal protein 5 0.0009 0.0186 0.0176
Schistosoma mansoni regulator of G protein signaling 0.0012 0.042 0.042
Echinococcus multilocularis regulator of G protein signaling 0.0012 0.042 0.042
Echinococcus multilocularis dual specificity 0.0067 0.5384 0.5384
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0301 0.0301
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0012 0.042 0.042
Schistosoma mansoni tyrosine kinase 0.001 0.0301 0.0301
Trichomonas vaginalis CMGC family protein kinase 0.0067 0.5384 0.5181
Echinococcus granulosus regulator of G protein signaling 3 0.0012 0.042 0.042
Echinococcus multilocularis dual specificity 0.0067 0.5384 0.5384
Echinococcus multilocularis NCK adaptor protein 0.0009 0.0186 0.0186

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Toxicity in C57BL/6J mouse amphetamine-induced hypermotility model assessed as reduction of spontaneous locomotor activity at 30 mg/kg, ip ChEMBL. 26486317
AUC (ADMET) = 370 microg.min/mL AUC (0 to infinity) in mouse at 10 mg/kg, ip ChEMBL. 26486317
CL (ADMET) = 0.02 L/min/kg Clearance in mouse at 10 mg/kg, ip ChEMBL. 26486317
IC50 (binding) = 18 nM Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay ChEMBL. 26486317
IC50 (binding) = 0.04 uM Inhibition of human recombinant DYRK1alpha by LANCE assay ChEMBL. 26486317
IC50 (binding) = 0.04 uM Inhibition of human recombinant GSK-3alpha by LANCE assay ChEMBL. 26486317
IC50 (binding) = 0.071 uM Inhibition of human recombinant CLK1 by LANCE assay ChEMBL. 26486317
IC50 (binding) = 0.17 uM Inhibition of human recombinant LynB by LANCE assay ChEMBL. 26486317
IC50 (binding) = 0.24 uM Inhibition of GSK-3beta (unknown origin) expressed in CHO cells assessed as Tau phosphorylation after 2 hrs ChEMBL. 26486317
IC50 (binding) = 0.53 uM Inhibition of human recombinant GRK2 by LANCE assay ChEMBL. 26486317
IC50 (binding) = 0.53 uM Inhibition of human recombinant DYRK2 by LANCE assay ChEMBL. 26486317
Inhibition (functional) Inhibition of amphetamine-induced hypermotility in ip dosed C57BL/6J mouse measured for 90 mins ChEMBL. 26486317
Ki (binding) = 15 nM Competitive inhibition of human recombinant GSK-3beta after 60 mins by microfluidic assay in presence of ATP ChEMBL. 26486317
T1/2 (ADMET) = 203 min Elimination half-life in mouse at 10 mg/kg, ip ChEMBL. 26486317
Tmax (ADMET) = 15 min Tmax in mouse at 10 mg/kg, ip ChEMBL. 26486317
Vd (ADMET) = 6 L/Kg Volume of distribution in mouse at 10 mg/kg, ip ChEMBL. 26486317

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.