Detailed information for compound 1026459

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 579.573 | Formula: C29H28F3N7O3
  • H donors: 3 H acceptors: 5 LogP: 5.2 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCc1cccc(c1NC(=O)c1nn(c2c1CCc1c2nc(nc1)Nc1ccc(cc1OC(F)(F)F)C(=O)N)C)CC
  • InChi: 1S/C29H28F3N7O3/c1-4-15-7-6-8-16(5-2)22(15)36-27(41)24-19-11-9-18-14-34-28(37-23(18)25(19)39(3)38-24)35-20-12-10-17(26(33)40)13-21(20)42-29(30,31)32/h6-8,10,12-14H,4-5,9,11H2,1-3H3,(H2,33,40)(H,36,41)(H,34,35,37)
  • InChiKey: BJCDONGBHGLZHP-UHFFFAOYSA-N  


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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 A2 References
Homo sapiens cyclin A1 Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 References
Homo sapiens TTK protein kinase Starlite/ChEMBL References
Homo sapiens aurora kinase A 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
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium knowlesi serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine kinase 12 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 braziliensis cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis mitotic cyclin-CYC2 Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica 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
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Plasmodium vivax serine/threonine protein kinase 6, 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis protein kinase, putative 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
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
Echinococcus granulosus cyclin dependent kinase 5 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 cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis AGC family protein kinase 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
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania infantum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum ko:K08850 aurora kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica protein kinase, putative 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
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani Aurora I-related kinase Get druggable targets OG5_127024 All targets in OG5_127024
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 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
Entamoeba histolytica cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative Get druggable targets OG5_126649 All targets in OG5_126649
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis dual specificity serine:threonine tyrosine Get druggable targets OG5_129339 All targets in OG5_129339
Brugia malayi cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 3 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
Schistosoma japonicum ko:K05501 TetR/AcrR family transcriptional regulator, putative Get druggable targets OG5_129339 All targets in OG5_129339
Trichomonas vaginalis cyclin A, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans protein threonine/tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis cyclin dependent kinase 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
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine- protein kinase 6, putative 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 CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium knowlesi Cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major cell division related protein kinase 2,cdc2-related 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
Schistosoma mansoni cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) AUR protein kinase 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
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) CMGC/CDK/CDK5 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
Trypanosoma congolense mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium falciparum protein kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum Serine/threonine-protein kinase 12, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania donovani CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia G2/mitotic-specific cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii putative protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis cdc2-like protein kinase 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
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi aurora B kinase, putative 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus aurora kinase A 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
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 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 cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 1 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 CMGC family 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
Neospora caninum CMGC kinase, CDK family TgPK2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense aurora B kinase 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
Echinococcus granulosus cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans likely B-type cyclin similar to S. cerevisiae CLB4 (YLR210W) and CLB3 (YDL155W) involved in G1/S transition Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia Kinase, TTK Get druggable targets OG5_129339 All targets in OG5_129339
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica serine/threonine protein kinase 6, putative 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 granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
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
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Toxoplasma gondii aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium berghei cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
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
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei cdc2-related kinase 1 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
Leishmania major protein kinase, putative 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
Brugia malayi Protein kinase domain containing protein 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
Echinococcus granulosus dual specificity serine:threonine tyrosine Get druggable targets OG5_129339 All targets in OG5_129339
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase Get druggable targets OG5_129339 All targets in OG5_129339
Entamoeba histolytica serine/threonine- protein kinase 6 , putative Get druggable targets OG5_127024 All targets in OG5_127024
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum hypothetical protein 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
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium falciparum serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Giardia lamblia Aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) TTK protein kinase Get druggable targets OG5_129339 All targets in OG5_129339
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0038 0.0135 0.011
Loa Loa (eye worm) hypothetical protein 0.02 0.2564 0.3535
Trypanosoma cruzi cyclin, putative 0.009 0.0919 0.1127
Echinococcus multilocularis cyclins 0.0038 0.0135 0.011
Trichomonas vaginalis set domain proteins, putative 0.0239 0.3153 0.428
Echinococcus multilocularis cyclin B3 1 0.0038 0.0135 0.011
Trichomonas vaginalis conserved hypothetical protein 0.02 0.2564 0.3448
Echinococcus granulosus cyclin dependent kinase 0.0054 0.0376 0.0367
Giardia lamblia Aurora kinase 0.007 0.0615 0.1975
Echinococcus granulosus cyclins 0.0038 0.0135 0.0126
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.02 0.2564 1
Plasmodium vivax polyprenol reductase, putative 0.02 0.2564 1
Loa Loa (eye worm) hypothetical protein 0.0511 0.7206 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0121 0.0133
Giardia lamblia Kinase, TTK 0.0089 0.0899 0.3144
Schistosoma mansoni alpha glucosidase 0.0037 0.0121 0.0095
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0511 0.7206 1
Trichomonas vaginalis cyclins, putative 0.009 0.0919 0.1127
Echinococcus multilocularis cyclins 0.0038 0.0135 0.011
Loa Loa (eye worm) cyclin domain-containing protein 0.0038 0.0135 0.0152
Brugia malayi Protein kinase domain containing protein 0.0054 0.0376 0.0487
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.2036 0.2016
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0054 0.0376 0.0367
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.0899 0.1098
Schistosoma mansoni alpha-glucosidase 0.0142 0.1693 0.1672
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0121 0.0133
Trypanosoma cruzi aurora B kinase, putative 0.007 0.0615 0.0697
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0089 0.0899 0.0875
Plasmodium falciparum serine/threonine protein kinase, putative 0.007 0.0615 0.1975
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.007 0.0615 0.0697
Loa Loa (eye worm) hypothetical protein 0.009 0.0919 0.1244
Trichomonas vaginalis cyclin B, putative 0.009 0.0919 0.1127
Echinococcus granulosus serine:threonine protein kinase 12 B 0.007 0.0615 0.0606
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0376 0.0359
Trichomonas vaginalis cyclins, putative 0.009 0.0919 0.1127
Entamoeba histolytica protein kinase , putative 0.007 0.0615 0.0697
Schistosoma mansoni cyclin B3 0.0038 0.0135 0.011
Echinococcus granulosus cyclin b3 0.0038 0.0135 0.0126
Brugia malayi serine/threonine kinase 12 0.007 0.0615 0.0821
Brugia malayi cell division control protein 2 homolog 0.0054 0.0376 0.0487
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0511 0.7206 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0054 0.0376 0.0487
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0121 0.0112
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0089 0.0899 0.2791
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0116 0.1304 0.1282
Schistosoma mansoni synaptic glycoprotein sc2 related 0.02 0.2564 0.2544
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0511 0.7206 1
Trichomonas vaginalis cyclin B3, putative 0.0038 0.0135 0.002
Brugia malayi Glycosyl hydrolases family 31 protein 0.0165 0.2036 0.28
Trichomonas vaginalis AGC family protein kinase 0.007 0.0615 0.0697
Trypanosoma cruzi cyclin, putative 0.009 0.0919 0.1127
Trypanosoma cruzi cdc2-related kinase 3 0.0054 0.0376 0.0359
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.0444 0.0455
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.2719 0.3751
Plasmodium vivax serine/threonine protein kinase 6, putative 0.007 0.0615 0.2322
Trypanosoma cruzi polo-like protein kinase, putative 0.0116 0.1304 0.167
Entamoeba histolytica cell division protein kinase 2, putative 0.0054 0.0376 0.0359
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0511 0.7206 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1304 0.167
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0511 0.7206 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.02 0.2564 0.3558
Entamoeba histolytica cyclin family protein 0.0038 0.0135 0.002
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0511 0.7206 1
Mycobacterium ulcerans hypothetical protein 0.0511 0.7206 0.5
Echinococcus multilocularis cyclins 0.0038 0.0135 0.011
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.02 0.2564 0.3558
Leishmania major cyclin 0.009 0.0919 0.1127
Onchocerca volvulus Serine\/threonine kinase homolog 0.0116 0.1304 0.4088
Trichomonas vaginalis AGC family protein kinase 0.007 0.0615 0.0697
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1304 0.167
Giardia lamblia G2/mitotic-specific cyclin B 0.009 0.0919 0.3229
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.02 0.2564 0.3448
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0116 0.1304 0.1781
Loa Loa (eye worm) AUR protein kinase 0.007 0.0615 0.0821
Echinococcus granulosus lysosomal alpha glucosidase 0.0165 0.2036 0.2029
Echinococcus granulosus cyclin B3 1 0.0038 0.0135 0.0126
Entamoeba histolytica cyclin, putative 0.0038 0.0135 0.002
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.007 0.0615 0.0697
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.02 0.2564 0.3448
Trichomonas vaginalis cyclin B, putative 0.0038 0.0135 0.002
Entamoeba histolytica protein kinase, putative 0.007 0.0615 0.0697
Entamoeba histolytica protein kinase domain containing protein 0.007 0.0615 0.0697
Loa Loa (eye worm) hypothetical protein 0.02 0.2564 0.3535
Trichomonas vaginalis cyclin A, putative 0.009 0.0919 0.1127
Plasmodium falciparum polyprenol reductase, putative 0.02 0.2564 1
Plasmodium falciparum protein kinase 5 0.0054 0.0376 0.099
Echinococcus multilocularis cyclins 0.0038 0.0135 0.011
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0376 0.0351
Echinococcus multilocularis cyclins 0.0038 0.0135 0.011
Giardia lamblia Kinase, CMGC CDK 0.0054 0.0376 0.099
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0121 0.0168
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.007 0.0615 0.0697
Entamoeba histolytica cell division protein kinase 2, putative 0.0054 0.0376 0.0359
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.02 0.2564 0.3448
Trypanosoma brucei cdc2-related kinase 3 0.0054 0.0376 0.0359
Schistosoma mansoni cyclin B 0.009 0.0919 0.0896
Schistosoma mansoni cyclins 0.0038 0.0135 0.011
Echinococcus granulosus synaptic glycoprotein sc2 0.02 0.2564 0.2557
Echinococcus granulosus cyclin B 0.009 0.0919 0.0911
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1304 0.167
Brugia malayi Pre-SET motif family protein 0.021 0.2719 0.3751
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1304 0.167
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0121 0.0095
Trypanosoma brucei aurora B kinase 0.007 0.0615 0.0697
Echinococcus multilocularis cyclin dependent kinase 1 0.0054 0.0376 0.0351
Schistosoma mansoni serine/threonine protein kinase 0.0116 0.1304 0.1282
Echinococcus granulosus cyclins 0.0038 0.0135 0.0126
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0038 0.0135 0.0126
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0511 0.7206 1
Echinococcus granulosus cyclins 0.0038 0.0135 0.0126
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0116 0.1304 0.1296
Brugia malayi Synaptic glycoprotein SC2 0.02 0.2564 0.3535
Onchocerca volvulus 0.02 0.2564 0.8114
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0054 0.0376 0.0521
Trichomonas vaginalis cyclins, putative 0.009 0.0919 0.1127
Entamoeba histolytica cyclin family protein 0.0038 0.0135 0.002
Echinococcus multilocularis cyclin dependent kinase 1 0.0054 0.0376 0.0351
Brugia malayi Cyclin, N-terminal domain containing protein 0.0038 0.0135 0.0152
Echinococcus multilocularis cyclins 0.0038 0.0135 0.011
Schistosoma mansoni protein kinase 0.007 0.0615 0.0591
Giardia lamblia Kinase, PLK 0.0116 0.1304 0.4814
Trypanosoma brucei cdc2-related kinase 1 0.0054 0.0376 0.0359
Trichomonas vaginalis cyclin D, putative 0.0038 0.0135 0.002
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.02 0.2564 0.2557
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.02 0.2564 0.3448
Trichomonas vaginalis CAMK family protein kinase 0.0089 0.0899 0.1098
Loa Loa (eye worm) hypothetical protein 0.0052 0.0359 0.0464
Brugia malayi serine/threonine-protein kinase plk-2 0.0116 0.1304 0.1781
Trypanosoma brucei mitotic cyclin 6 0.009 0.0919 0.1127
Toxoplasma gondii aurora kinase 0.007 0.0615 0.0853
Echinococcus multilocularis cyclin dependent kinase 0.0054 0.0376 0.0351
Loa Loa (eye worm) hypothetical protein 0.009 0.0919 0.1244
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.02 0.2564 0.3448
Trichomonas vaginalis cyclins, putative 0.009 0.0919 0.1127
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.02 0.2564 0.3448
Entamoeba histolytica serine/threonine protein kinase, putative 0.0116 0.1304 0.167
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.02 0.2564 1
Trichomonas vaginalis AGC family protein kinase 0.007 0.0615 0.0697
Echinococcus multilocularis microtubule associated protein 2 0.0698 1 1
Loa Loa (eye worm) TTK protein kinase 0.0089 0.0899 0.1216
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0026 0.0036
Trichomonas vaginalis cyclin B, putative 0.009 0.0919 0.1127
Echinococcus granulosus aurora kinase A 0.007 0.0615 0.0606
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.2036 0.2016
Trypanosoma cruzi cyclin 6, putative 0.009 0.0919 0.1127
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0089 0.0899 0.0875
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0511 0.7206 1
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.02 0.2564 0.3448
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0511 0.7206 1
Trichomonas vaginalis cyclins, putative 0.0038 0.0135 0.002
Entamoeba histolytica cyclin, putative 0.009 0.0919 0.1127
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0054 0.0376 0.0359
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0376 0.0359
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1304 0.167
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0376 0.0359
Trypanosoma cruzi cdc2-related kinase 1 0.0054 0.0376 0.0359
Onchocerca volvulus 0.009 0.0919 0.2857
Echinococcus granulosus cyclins 0.0038 0.0135 0.0126
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0511 0.7206 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0054 0.0376 0.0487
Plasmodium vivax protein kinase Crk2 0.0054 0.0376 0.1378
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0135 0.002
Brugia malayi serine/threonine protein kinase 6 0.007 0.0615 0.0821
Trichomonas vaginalis AGC family protein kinase 0.007 0.0615 0.0697
Entamoeba histolytica protein kinase, putative 0.007 0.0615 0.0697
Trypanosoma cruzi cdc2-related kinase 3 0.0054 0.0376 0.0359
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.02 0.2564 0.2544
Echinococcus multilocularis cyclin dependent kinase 5 0.0054 0.0376 0.0351
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0165 0.2036 0.28
Trichomonas vaginalis cyclin B, putative 0.009 0.0919 0.1127
Brugia malayi Protein kinase domain containing protein 0.0089 0.0899 0.1216
Entamoeba histolytica hypothetical protein 0.02 0.2564 0.3448
Trichomonas vaginalis cyclin D, putative 0.0038 0.0135 0.002
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0376 0.0351
Giardia lamblia Kinase, CMGC CDK 0.0054 0.0376 0.099
Brugia malayi serine/threonine-protein kinase 6 0.007 0.0615 0.0821
Echinococcus multilocularis cyclin b3 0.0038 0.0135 0.011
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1304 0.167
Leishmania major protein kinase, putative 0.007 0.0615 0.0697
Trypanosoma cruzi polo-like protein kinase, putative 0.0116 0.1304 0.167
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.007 0.0615 0.0591
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1304 0.167
Giardia lamblia Synaptic glycoprotein SC2 0.02 0.2564 1
Trypanosoma brucei polo-like protein kinase 0.0116 0.1304 0.167
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0089 0.0899 0.089
Schistosoma mansoni serine/threonine protein kinase 0.007 0.0615 0.0591
Loa Loa (eye worm) hypothetical protein 0.0052 0.0345 0.0445
Brugia malayi Cyclin, N-terminal domain containing protein 0.009 0.0919 0.1244
Echinococcus granulosus cyclin dependent kinase 5 0.0054 0.0376 0.0367
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0026 0.0017
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.02 0.2564 0.3448
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0054 0.0376 0.0487
Trichomonas vaginalis cyclins, putative 0.0062 0.0494 0.0527
Schistosoma mansoni alpha-glucosidase 0.0142 0.1693 0.1672
Echinococcus multilocularis synaptic glycoprotein sc2 0.02 0.2564 0.2544
Schistosoma mansoni microtubule-associated protein tau 0.0698 1 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.009 0.0919 0.1127
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.0444 0.0455
Schistosoma mansoni synaptic glycoprotein sc2 related 0.02 0.2564 0.2544
Echinococcus multilocularis cyclin B 0.009 0.0919 0.0896
Loa Loa (eye worm) AUR protein kinase 0.007 0.0615 0.0821
Loa Loa (eye worm) AUR protein kinase 0.007 0.0615 0.0821
Echinococcus granulosus cyclin dependent kinase 1 0.0054 0.0376 0.0367
Trichomonas vaginalis conserved hypothetical protein 0.02 0.2564 0.3448
Trypanosoma cruzi CYC2-like cyclin, putative 0.009 0.0919 0.1127
Trichomonas vaginalis cyclin B, putative 0.009 0.0919 0.1127
Echinococcus multilocularis cyclins 0.0038 0.0135 0.011
Schistosoma mansoni kinase 0.006 0.0466 0.0441
Trypanosoma cruzi cdc2-related kinase 1 0.0054 0.0376 0.0359
Echinococcus multilocularis aurora kinase A 0.007 0.0615 0.0591
Brugia malayi Cyclin, N-terminal domain containing protein 0.009 0.0919 0.1244
Onchocerca volvulus 0.0239 0.3153 1
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0054 0.0376 0.0359
Onchocerca volvulus 0.0095 0.0998 0.311
Echinococcus granulosus cyclins 0.0038 0.0135 0.0126
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0116 0.1304 0.167

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.14 uM Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting ChEMBL. 21723120
IC50 (functional) = 0.16 uM Inhibition of mitosis in human U2OS cells assessed as histone H3 phosphorylation at Ser 10 residue after 2 hrs by immunoassay ChEMBL. 21723120
IC50 (functional) = 0.298 uM Antiproliferative activity in human A2780 cells after 72 hrs by CellTiter-Glo assay ChEMBL. 21723120
IC50 (binding) > 10 uM Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting ChEMBL. 21723120
IC50 (binding) > 10 uM Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting ChEMBL. 21723120
IC50 (binding) > 10 uM Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting ChEMBL. 21723120

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21723120

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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