Detailed information for compound 1589824

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 561.556 | Formula: C26H30F3N7O4
  • H donors: 2 H acceptors: 4 LogP: 3.36 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N1CCN(CC1)c1ccc(c(c1)Nc1nccc(n1)c1cc(cn1C)C(=O)N)OC(F)(F)F)OC(C)(C)C
  • InChi: 1S/C26H30F3N7O4/c1-25(2,3)40-24(38)36-11-9-35(10-12-36)17-5-6-21(39-26(27,28)29)19(14-17)33-23-31-8-7-18(32-23)20-13-16(22(30)37)15-34(20)4/h5-8,13-15H,9-12H2,1-4H3,(H2,30,37)(H,31,32,33)
  • InChiKey: ZZEICTZAIFYWLM-UHFFFAOYSA-N  


Substructure search Similarity search

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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 aurora kinase A Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 References
Homo sapiens polo-like kinase 1 Starlite/ChEMBL References
Homo sapiens cyclin A2 References
Homo sapiens polo-like kinase 2 Starlite/ChEMBL References
Homo sapiens cyclin A1 Starlite/ChEMBL References
Homo sapiens polo-like kinase 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein 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
Brugia malayi serine/threonine-protein kinase 6 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
Trypanosoma cruzi cdc2-related kinase 3 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
Echinococcus granulosus aurora kinase A 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 braziliensis protein kinase, putative,polo-like protein kinase, putative 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
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium hominis cdc2-like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium vivax serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii putative protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania donovani cdc2-related kinase 3, putative 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium knowlesi serine/threonine protein kinase, putative 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
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum protein kinase, putative 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
Plasmodium falciparum protein kinase 5 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
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis cell division 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
Trichomonas vaginalis AGC family 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
Babesia bovis cell division control protein 2, putative 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
Schistosoma mansoni protein kinase 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 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 major protein kinase, putative,polo-like protein kinase, putative 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
Brugia malayi serine/threonine kinase 12 Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi serine/threonine protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi cyclin 6, putative 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
Leishmania donovani Aurora I-related kinase 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis cyclin A, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) AUR protein kinase 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
Cryptosporidium hominis mitotic cyclin-CYC2 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
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei gambiense polo-like protein kinase,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
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
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
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
Giardia lamblia Aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania mexicana CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) CMGC/CDK/CDC2 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
Entamoeba histolytica serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense cdc2-related kinase 3, 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
Echinococcus granulosus cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum cell division protein kinase 2,cdc2-related 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 protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania infantum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein 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 donovani cyclin 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
Leishmania braziliensis protein kinase, putative 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
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 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
Trypanosoma congolense aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania major protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi 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
Trypanosoma brucei cdc2-related kinase 3 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
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 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
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_126712 All targets in OG5_126712
Trichomonas vaginalis CAMK family protein 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
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma congolense mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative 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
Giardia lamblia G2/mitotic-specific cyclin B 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
Candida albicans hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium berghei serine/threonine protein kinase, putative 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
Trichomonas vaginalis CAMK family protein kinase 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
Loa Loa (eye worm) hypothetical protein 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
Brugia malayi cell division control protein 2 homolog 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
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase domain containing protein 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
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi cyclin, putative 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
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase 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
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 5 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
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
Schistosoma mansoni cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Toxoplasma gondii aurora kinase 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
Schistosoma japonicum ko:K05868 cyclin B, 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
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase 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
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 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
Theileria parva cell division control protein 2 related 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
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cell division protein kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
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
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii cdc2-related kinase 2 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
Loa Loa (eye worm) CMGC/CDK/CDC2 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
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Giardia lamblia Kinase, PLK 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
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 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
Leishmania braziliensis CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Neospora caninum CMGC kinase, CDK family TgPK2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin B 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
Trichomonas vaginalis AGC family protein kinase 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
Echinococcus granulosus cyclin dependent kinase 1 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 granulosus serine:threonine protein kinase 12 B 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
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin 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
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
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
Trichomonas vaginalis AGC family protein kinase 0.007 0.0625 0.0553
Loa Loa (eye worm) oxidoreductase 0.0271 0.752 0.752
Brugia malayi Cyclin, N-terminal domain containing protein 0.009 0.1317 0.125
Schistosoma mansoni serine/threonine protein kinase 0.007 0.0625 0.0553
Loa Loa (eye worm) hypothetical protein 0.0052 0.0032 0.0032
Plasmodium vivax serine/threonine protein kinase 6, putative 0.007 0.0625 0.6483
Trichomonas vaginalis aldo-keto reductase, putative 0.0271 0.752 0.7501
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0078 0.0923 0.0854
Leishmania major aldo-keto reductase-like protein 0.0271 0.752 0.7501
Trichomonas vaginalis cyclin A, putative 0.009 0.1317 0.125
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0271 0.752 0.7501
Trypanosoma cruzi aldo/keto reductase, putative 0.0078 0.0923 0.0854
Echinococcus granulosus aldo keto reductase 0.0271 0.752 0.7501
Loa Loa (eye worm) hypothetical protein 0.0147 0.3259 0.3259
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0078 0.0923 0.0854
Trichomonas vaginalis aldo-keto reductase, putative 0.0271 0.752 0.7501
Echinococcus granulosus voltage gated potassium channel subunit 0.0078 0.0923 0.0854
Schistosoma mansoni protein kinase 0.007 0.0625 0.0553
Trypanosoma brucei prostaglandin f synthase 0.0271 0.752 0.7501
Echinococcus multilocularis aldo keto reductase 0.0271 0.752 0.7501
Onchocerca volvulus 0.0271 0.752 0.7268
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0271 0.752 0.7501
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0343 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0343 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0271 0.752 0.7501
Trypanosoma brucei aldo/keto reductase, putative 0.0078 0.0923 0.0854
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0271 0.752 0.7501
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0271 0.752 0.7501
Echinococcus granulosus serine:threonine protein kinase 12 B 0.007 0.0625 0.0553
Trichomonas vaginalis aldo-keto reductase, putative 0.0271 0.752 0.7501
Echinococcus multilocularis aldo keto reductase 0.0271 0.752 0.7501
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0923 0.0854
Trichomonas vaginalis aldo/keto reductase, putative 0.0271 0.752 0.7501
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0271 0.752 0.7501
Onchocerca volvulus 0.0271 0.752 0.7268
Mycobacterium ulcerans oxidoreductase 0.0271 0.752 1
Schistosoma mansoni potassium channel beta 0.0078 0.0923 0.0854
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0271 0.752 0.7501
Loa Loa (eye worm) hypothetical protein 0.0271 0.752 0.752
Trichomonas vaginalis AGC family protein kinase 0.007 0.0625 0.0553
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0078 0.0923 0.0854
Echinococcus granulosus aldo keto reductase 0.0271 0.752 0.7501
Trypanosoma brucei aurora B kinase 0.007 0.0625 0.0553
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0078 0.0923 0.0854
Loa Loa (eye worm) oxidoreductase 0.0271 0.752 0.752
Entamoeba histolytica protein kinase , putative 0.007 0.0625 0.0553
Giardia lamblia Aurora kinase 0.007 0.0625 0.0553
Trypanosoma cruzi aldo/keto reductase, putative 0.0271 0.752 0.7501
Toxoplasma gondii aurora kinase 0.007 0.0625 0.0738
Loa Loa (eye worm) hypothetical protein 0.009 0.1317 0.1317
Plasmodium falciparum aldehyde reductase, putative 0.0078 0.0923 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0343 1 1
Leishmania major prostaglandin f synthase, putative 0.0271 0.752 0.7501
Loa Loa (eye worm) AUR protein kinase 0.007 0.0625 0.0625
Trichomonas vaginalis aldo/keto reductase, putative 0.0271 0.752 0.7501
Trichomonas vaginalis CAMK family protein kinase 0.0343 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.0923 0.0854
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0271 0.752 0.7501
Trichomonas vaginalis aldo-keto reductase, putative 0.0271 0.752 0.7501
Echinococcus granulosus cyclin B 0.009 0.1317 0.125
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0271 0.752 0.7501
Trichomonas vaginalis cyclins, putative 0.009 0.1317 0.125
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0271 0.752 0.7501
Trichomonas vaginalis aldo-keto reductase, putative 0.0271 0.752 0.7501
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0054 0.0076 0.0076
Brugia malayi Muscleblind-like protein 0.0147 0.3259 0.3208
Echinococcus granulosus muscleblind protein 0.0147 0.3259 0.3208
Echinococcus granulosus aldo keto reductase 0.0271 0.752 0.7501
Loa Loa (eye worm) oxidoreductase 0.0271 0.752 0.752
Trichomonas vaginalis aldo/keto reductase, putative 0.0271 0.752 0.7501
Trichomonas vaginalis CAMK family protein kinase 0.0171 0.4077 0.4032
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0078 0.0923 0.0923
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.007 0.0625 0.0553
Trichomonas vaginalis cyclins, putative 0.0062 0.0342 0.0268
Echinococcus multilocularis muscleblind protein 1 0.0147 0.3259 0.3208
Trichomonas vaginalis aldo-keto reductase, putative 0.0271 0.752 0.7501
Trichomonas vaginalis aldo-keto reductase, putative 0.0271 0.752 0.7501
Entamoeba histolytica cyclin, putative 0.009 0.1317 0.125
Schistosoma mansoni kinase 0.0175 0.4232 0.4188
Trichomonas vaginalis cyclin B, putative 0.009 0.1317 0.125
Trypanosoma cruzi CYC2-like cyclin, putative 0.009 0.1317 0.125
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0271 0.752 0.7501
Echinococcus multilocularis voltage gated potassium channel subunit 0.0078 0.0923 0.0854
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0078 0.0923 0.1138
Trichomonas vaginalis CAMK family protein kinase 0.0343 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0078 0.0923 0.0854
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0271 0.752 0.7501
Trichomonas vaginalis cyclins, putative 0.009 0.1317 0.125
Schistosoma mansoni cyclin B 0.009 0.1317 0.125
Trypanosoma cruzi aurora B kinase, putative 0.007 0.0625 0.0553
Leishmania major cyclin 0.009 0.1317 0.125
Loa Loa (eye worm) AUR protein kinase 0.007 0.0625 0.0625
Trichomonas vaginalis CAMK family protein kinase 0.0343 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0271 0.752 0.7501
Giardia lamblia G2/mitotic-specific cyclin B 0.009 0.1317 0.125
Trypanosoma cruzi polo-like protein kinase, putative 0.0343 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0271 0.752 0.7501
Trichomonas vaginalis CAMK family protein kinase 0.0343 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0271 0.752 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0271 0.752 0.7501
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0054 0.0076 0.0076
Plasmodium falciparum aldo-keto reductase, putative 0.0078 0.0923 1
Trypanosoma cruzi cyclin, putative 0.009 0.1317 0.125
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.007 0.0625 0.0553
Leishmania major protein kinase, putative 0.007 0.0625 0.0553
Toxoplasma gondii aldo-keto reductase 0.0078 0.0923 0.1138
Loa Loa (eye worm) oxidoreductase 0.0271 0.752 0.752
Trichomonas vaginalis aldo-keto reductase, putative 0.0271 0.752 0.7501
Trypanosoma cruzi cyclin 6, putative 0.009 0.1317 0.125
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.007 0.0625 0.0553
Toxoplasma gondii aldose reductase, putative 0.0271 0.752 1
Echinococcus multilocularis muscleblind protein 0.0147 0.3259 0.3208
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0923 0.0854
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0271 0.752 0.7501
Echinococcus multilocularis aldo keto reductase 0.0271 0.752 0.7501
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0078 0.0923 0.1138
Onchocerca volvulus 0.0271 0.752 0.7268
Trichomonas vaginalis CAMK family protein kinase 0.0343 1 1
Giardia lamblia Aldose reductase 0.0271 0.752 0.7501
Schistosoma mansoni aldo-keto reductase 0.0271 0.752 0.7501
Onchocerca volvulus 0.0271 0.752 0.7268
Loa Loa (eye worm) oxidoreductase 0.0271 0.752 0.752
Entamoeba histolytica aldose reductase, putative 0.0271 0.752 0.7501
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0271 0.752 0.7501
Trypanosoma brucei polo-like protein kinase 0.0343 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0271 0.752 0.7501
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0923 0.0854
Trypanosoma cruzi polo-like protein kinase, putative 0.0343 1 1
Giardia lamblia Aldose reductase 0.0271 0.752 0.7501
Entamoeba histolytica aldose reductase, putative 0.0271 0.752 0.7501
Plasmodium vivax aldehyde reductase, putative 0.0078 0.0923 1
Echinococcus multilocularis aurora kinase A 0.007 0.0625 0.0553
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0271 0.752 0.7501
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0271 0.752 0.7501
Trichomonas vaginalis AGC family protein kinase 0.007 0.0625 0.0553
Brugia malayi serine/threonine-protein kinase 6 0.007 0.0625 0.0553
Onchocerca volvulus 0.009 0.1317 0.0434
Trichomonas vaginalis CAMK family protein kinase 0.0343 1 1
Echinococcus granulosus hypothetical protein 0.0271 0.752 0.7501
Mycobacterium leprae Conserved hypothetical protein 0.0192 0.483 0.5922
Trichomonas vaginalis cyclins, putative 0.009 0.1317 0.125
Trypanosoma brucei mitotic cyclin 6 0.009 0.1317 0.125
Echinococcus multilocularis cyclin B 0.009 0.1317 0.125
Trichomonas vaginalis cyclin B, putative 0.009 0.1317 0.125
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.007 0.0625 0.0553
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0078 0.0923 1
Trichomonas vaginalis CAMK family protein kinase 0.0171 0.4077 0.4032
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0271 0.752 0.7501
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0271 0.752 0.7501
Entamoeba histolytica protein kinase, putative 0.007 0.0625 0.0553
Entamoeba histolytica protein kinase, putative 0.007 0.0625 0.0553
Onchocerca volvulus 0.0271 0.752 0.7268
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0271 0.752 0.7501
Trichomonas vaginalis AGC family protein kinase 0.007 0.0625 0.0553
Brugia malayi serine/threonine protein kinase 6 0.007 0.0625 0.0553
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0343 1 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.3259 0.3259
Brugia malayi NADH-dependent xylose reductase 0.0078 0.0923 0.0854
Trichomonas vaginalis cyclin B, putative 0.009 0.1317 0.125
Loa Loa (eye worm) AUR protein kinase 0.007 0.0625 0.0625
Echinococcus multilocularis aldo keto reductase 0.0271 0.752 0.7501
Echinococcus multilocularis aldehyde reductase 0.0192 0.483 0.4791
Trichomonas vaginalis cyclins, putative 0.009 0.1317 0.125
Schistosoma mansoni serine/threonine protein kinase 0.0343 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0054 0.0076 0.0076
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0271 0.752 0.7501
Loa Loa (eye worm) hypothetical protein 0.009 0.1317 0.1317
Trichomonas vaginalis aldo-keto reductase, putative 0.0271 0.752 0.7501
Schistosoma mansoni aldo-keto reductase 0.0271 0.752 0.7501
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0343 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0271 0.752 0.7501
Entamoeba histolytica serine/threonine protein kinase, putative 0.0343 1 1
Echinococcus granulosus aurora kinase A 0.007 0.0625 0.0553
Trypanosoma brucei aldo-keto reductase, putative 0.0271 0.752 0.7501
Brugia malayi serine/threonine kinase 12 0.007 0.0625 0.0553
Entamoeba histolytica alcohol dehydrogenase, putative 0.0078 0.0923 0.0854
Entamoeba histolytica protein kinase domain containing protein 0.007 0.0625 0.0553
Mycobacterium tuberculosis Probable oxidoreductase 0.0271 0.752 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.009 0.1317 0.125
Schistosoma mansoni pol-related 0.0271 0.752 0.7501
Trypanosoma cruzi aldo-keto reductase 0.0271 0.752 0.7501
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0271 0.752 0.7501
Trypanosoma cruzi cyclin, putative 0.009 0.1317 0.125
Giardia lamblia Kinase, PLK 0.0343 1 1
Onchocerca volvulus 0.0271 0.752 0.7268
Trichomonas vaginalis aldo-keto reductase, putative 0.0271 0.752 0.7501
Entamoeba histolytica aldose reductase, putative 0.0271 0.752 0.7501
Brugia malayi Cyclin, N-terminal domain containing protein 0.009 0.1317 0.125
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0271 0.752 0.7501
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0343 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0271 0.752 0.7501
Plasmodium falciparum serine/threonine protein kinase, putative 0.007 0.0625 0.6483
Trichomonas vaginalis cyclin B, putative 0.009 0.1317 0.125
Echinococcus granulosus aldehyde reductase 0.0192 0.483 0.4791
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0271 0.752 0.7501
Trichomonas vaginalis aldo-keto reductase, putative 0.0271 0.752 0.7501
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0271 0.752 0.7501

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.513 uM Antiproliferative activity against human A2780 cells ChEMBL. 22154349
IC50 (binding) > 10 uM Inhibition of PLK1 ChEMBL. 22154349
IC50 (binding) > 10 uM Inhibition of PLK2 ChEMBL. 22154349
IC50 (binding) > 10 uM Inhibition of PLK3 ChEMBL. 22154349
IC50 (binding) > 10 uM Inhibition of CDK2/cyclin A ChEMBL. 22154349
IC50 (binding) > 10 uM Inhibition of Aurora-A ChEMBL. 22154349

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22154349

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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