Detailed information for compound 1654774

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 534.572 | Formula: C30H29F3N4O2
  • H donors: 2 H acceptors: 2 LogP: 5.22 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN(Cc1ccc(cc1)c1cnc(c(c1)c1ccc(c(c1)OC(c1ccccc1C(F)(F)F)C)C(=O)N)N)C
  • InChi: 1S/C30H29F3N4O2/c1-18(23-6-4-5-7-26(23)30(31,32)33)39-27-15-21(12-13-24(27)29(35)38)25-14-22(16-36-28(25)34)20-10-8-19(9-11-20)17-37(2)3/h4-16,18H,17H2,1-3H3,(H2,34,36)(H2,35,38)
  • InChiKey: KPYFHKXGOZSVEX-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 cyclin-dependent kinase 3 Starlite/ChEMBL References
Homo sapiens NIMA-related kinase 2 Starlite/ChEMBL References
Homo sapiens aurora kinase A Starlite/ChEMBL References
Homo sapiens TTK protein kinase Starlite/ChEMBL References
Homo sapiens polo-like kinase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis dual specificity serine:threonine tyrosine Get druggable targets OG5_129339 All targets in OG5_129339
Brugia malayi serine/threonine kinase 12 Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_129446 All targets in OG5_129446
Trypanosoma brucei cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus dual specificity serine:threonine tyrosine Get druggable targets OG5_129339 All targets in OG5_129339
Giardia lamblia Kinase, NEK Get druggable targets OG5_129446 All targets in OG5_129446
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum MGC81305 protein, related Get druggable targets OG5_129446 All targets in OG5_129446
Leishmania major cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum CMGC kinase, CDK family TgPK2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi serine/threonine-protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania donovani cell division protein kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129339 All targets in OG5_129339
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_127024 All targets in OG5_127024
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_129446 All targets in OG5_129446
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica serine/threonine- protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi NIMA related kinase 1, putative Get druggable targets OG5_129446 All targets in OG5_129446
Trypanosoma congolense aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) TTK protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, TTK Get druggable targets OG5_129339 All targets in OG5_129339
Candida albicans likely protein kinase similar to S. cerevisiae KIN3 (YAR018C) Get druggable targets OG5_129446 All targets in OG5_129446
Schistosoma japonicum ko:K05501 TetR/AcrR family transcriptional regulator, putative Get druggable targets OG5_129339 All targets in OG5_129339
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi aurora B kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium falciparum NIMA related kinase 1 Get druggable targets OG5_129446 All targets in OG5_129446
Trypanosoma brucei gambiense cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative Get druggable targets OG5_126712 All targets in OG5_126712
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium hominis NEK2 protein Get druggable targets OG5_129446 All targets in OG5_129446
Plasmodium yoelii putative protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127024 All targets in OG5_127024
Toxoplasma gondii NIMA-related protein kinase NIMA1 Get druggable targets OG5_129446 All targets in OG5_129446
Cryptosporidium hominis cdc2-like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania infantum cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans likely protein kinase similar to S. cerevisiae KIN3 (YAR018C) Get druggable targets OG5_129446 All targets in OG5_129446
Trypanosoma brucei cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans protein threonine/tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Neospora caninum hypothetical protein Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax NIMA-related protein kinase (Pfnek-1), putative Get druggable targets OG5_129446 All targets in OG5_129446
Leishmania infantum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania braziliensis cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania braziliensis cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Theileria parva cell division control protein 2 related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani Aurora I-related kinase Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase , putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis STE family protein kinase Get druggable targets OG5_129446 All targets in OG5_129446
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia Kinase, NEK Get druggable targets OG5_129446 All targets in OG5_129446
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K08850 aurora kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium knowlesi Cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Onchocerca volvulus Dual specificity protein kinase TTK homolog Get druggable targets OG5_129339 All targets in OG5_129339
Cryptosporidium parvum NEK2 protein, putative Get druggable targets OG5_129446 All targets in OG5_129446
Leishmania major protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium berghei serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium falciparum protein kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium falciparum serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii NIMA-related protein kinase Get druggable targets OG5_129446 All targets in OG5_129446
Plasmodium berghei cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine- protein kinase 6 , putative Get druggable targets OG5_127024 All targets in OG5_127024
Theileria parva NIMA-related protein kinase, putative Get druggable targets OG5_129446 All targets in OG5_129446
Schistosoma japonicum Serine/threonine-protein kinase 12, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, NEK Get druggable targets OG5_129446 All targets in OG5_129446
Plasmodium berghei NIMA related kinase 1, putative Get druggable targets OG5_129446 All targets in OG5_129446
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 3 305 aa 303 aa 32.0 %
Giardia lamblia Kinase, NEK NIMA-related kinase 2 388 aa 312 aa 25.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.1897 0.4492
Schistosoma mansoni serine/threonine protein kinase 0.0116 0.3587 0.3527
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.3587 0.8493
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.3587 0.8493
Toxoplasma gondii FAD binding domain-containing protein 0.0219 1 1
Giardia lamblia Kinase, NEK 0.0127 0.4224 1
Loa Loa (eye worm) hypothetical protein 0.0219 1 1
Schistosoma mansoni serine/threonine protein kinase 0.007 0.0714 0.0627
Trichomonas vaginalis AGC family protein kinase 0.007 0.0714 0.1691
Trypanosoma brucei polo-like protein kinase 0.0116 0.3587 0.3094
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0089 0.1897 0.1821
Mycobacterium ulcerans hypothetical protein 0.0219 1 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0219 1 1
Schistosoma mansoni hypothetical protein 0.0219 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0116 0.3587 1
Plasmodium vivax NIMA-related protein kinase (Pfnek-1), putative 0.0127 0.4224 0.3779
Mycobacterium ulcerans oxidoreductase GMC-type 0.0219 1 0.5
Plasmodium falciparum FAD-dependent monooxygenase, putative 0.0219 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.3587 0.8493
Trichomonas vaginalis AGC family protein kinase 0.007 0.0714 0.1691
Leishmania major hypothetical protein, conserved 0.0219 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0219 1 0.5
Mycobacterium leprae possibleputative FAD-linked oxidoreductase 0.0219 1 0.5
Mycobacterium ulcerans oxidoreductase 0.0219 1 0.5
Mycobacterium ulcerans FAD-dependent oxidoreductase 0.0219 1 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0116 0.3587 0.3094
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0116 0.3587 0.3094
Mycobacterium tuberculosis Probable oxidoreductase 0.0219 1 0.5
Mycobacterium ulcerans membrane-associated oxidoreductase 0.0219 1 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0219 1 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0116 0.3587 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0116 0.3587 0.3094
Wolbachia endosymbiont of Brugia malayi 2-polyprenyl-6-methoxyphenol 4-hydroxylase 0.0219 1 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0219 1 0.5
Giardia lamblia Kinase, NEK 0.0127 0.4224 1
Brugia malayi Protein kinase domain containing protein 0.0089 0.1897 0.4117
Trypanosoma brucei Monooxygenase, putative 0.0219 1 1
Trichomonas vaginalis STE family protein kinase 0.0127 0.4224 1
Plasmodium falciparum NIMA related kinase 1 0.0127 0.4224 0.3779
Giardia lamblia Kinase, NEK 0.0127 0.4224 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.3587 0.8493
Mycobacterium tuberculosis Possible oxidoreductase 0.0219 1 0.5
Echinococcus granulosus ubiquinone biosynthesis monooxygenase COQ6 0.0219 1 1
Mycobacterium ulcerans hypothetical protein 0.0219 1 0.5
Brugia malayi serine/threonine-protein kinase plk-2 0.0116 0.3587 1
Echinococcus multilocularis protein MICAL 3 0.0219 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0116 0.3587 0.3094
Echinococcus multilocularis ubiquinone biosynthesis monooxygenase COQ6 0.0219 1 1
Mycobacterium ulcerans hypothetical protein 0.0219 1 0.5
Trypanosoma brucei kynurenine 3-monooxygenase, putative 0.0219 1 1
Trichomonas vaginalis AGC family protein kinase 0.007 0.0714 0.1691
Echinococcus granulosus protein MICAL 3 0.0219 1 1
Schistosoma mansoni protein kinase 0.007 0.0714 0.0627
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.3587 0.8493
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0116 0.3587 0.3094
Toxoplasma gondii NIMA-related protein kinase NIMA1 0.0127 0.4224 0.3779
Trichomonas vaginalis AGC family protein kinase 0.007 0.0714 0.1691
Trypanosoma cruzi polo-like protein kinase, putative 0.0116 0.3587 0.3094
Plasmodium vivax hypothetical protein, conserved 0.0219 1 1
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0089 0.1897 0.1274
Loa Loa (eye worm) TTK protein kinase 0.0089 0.1897 0.1274
Toxoplasma gondii FAD binding domain-containing protein 0.0219 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.1897 0.4492
Trichomonas vaginalis AGC family protein kinase 0.0127 0.4224 1
Giardia lamblia Kinase, PLK 0.0116 0.3587 0.8187
Trypanosoma cruzi Monooxygenase, putative 0.0219 1 1
Mycobacterium ulcerans FAD-linked oxidoreductase 0.0219 1 0.5
Giardia lamblia Kinase, TTK 0.0089 0.1897 0.3371
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.3587 0.8493
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.3587 0.8493
Leishmania major hypothetical protein, conserved 0.0219 1 1
Plasmodium vivax FAD-dependent monooxygenase, putative 0.0219 1 1
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0089 0.1897 0.1274
Schistosoma mansoni monoxygenase 0.0219 1 1
Mycobacterium ulcerans oxidoreductase 0.0219 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.12 uM Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method ChEMBL. 22404346
IC50 (binding) = 1.56 uM Inhibition of Plk1 using 5-FAMRRRAGALMDASFEEQ- CONH2 as substrate after 75 mins by caliper method ChEMBL. 22404346
IC50 (binding) = 2.74 uM Inhibition of CDK2 by caliper method ChEMBL. 22404346
IC50 (binding) = 3.06 uM Inhibition of MPS1 by caliper method ChEMBL. 22404346
IC50 (binding) = 7.93 uM Inhibition of Aurora A kinase by caliper method ChEMBL. 22404346

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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