Detailed information for compound 1122880

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 399.427 | Formula: C17H17N7O3S
  • H donors: 3 H acceptors: 6 LogP: 0.71 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1nc(c2c1c1nc(ncc1CC2)Nc1ccccc1S(=O)(=O)N)C(=O)N
  • InChi: 1S/C17H17N7O3S/c1-24-15-10(14(23-24)16(18)25)7-6-9-8-20-17(22-13(9)15)21-11-4-2-3-5-12(11)28(19,26)27/h2-5,8H,6-7H2,1H3,(H2,18,25)(H2,19,26,27)(H,20,21,22)
  • InChiKey: YLYRUFVSUXSETO-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 cyclin A1 Starlite/ChEMBL References
Homo sapiens cyclin A2 References
Homo sapiens aurora kinase A Starlite/ChEMBL References
Homo sapiens polo-like kinase 1 Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani cyclin 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
Loa Loa (eye worm) hypothetical protein 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 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans hypothetical protein 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
Brugia malayi serine/threonine kinase 12 Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium vivax serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus cyclin B 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 cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium berghei cdc2-related kinase 2 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
Brugia malayi serine/threonine-protein kinase 6 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
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative 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
Leishmania braziliensis protein 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
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana CYC2-like cyclin, putative,cyclin 6, 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
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cell division protein kinase 2,cdc2-related kinase 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
Echinococcus multilocularis 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
Schistosoma mansoni serine/threonine protein 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
Toxoplasma gondii aurora 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 CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein 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
Trichomonas vaginalis CAMK family 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 congolense aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin dependent kinase 5 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
Neospora caninum hypothetical protein 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
Trypanosoma cruzi cdc2-related kinase 3 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
Entamoeba histolytica serine/threonine protein kinase 6, 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
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, 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
Leishmania mexicana cell division related 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
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine 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
Trypanosoma brucei aurora B 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
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K08850 aurora 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
Leishmania infantum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
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
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
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 cdc2-related kinase 1 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
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
Onchocerca volvulus Serine\/threonine kinase homolog 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
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus serine:threonine protein kinase 12 B 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
Leishmania infantum cell division related protein kinase 2,cdc2-related 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
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 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
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium berghei serine/threonine protein kinase, putative 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
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, 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
Trichomonas vaginalis CMGC family protein 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
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126712 All targets in OG5_126712
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) hypothetical protein 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
Leishmania braziliensis cyclin 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
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei gambiense protein kinase, putative 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
Cryptosporidium hominis mitotic cyclin-CYC2 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 protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi Cell division control protein 2 homolog 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
Loa Loa (eye worm) AUR protein 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
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cyclin 6, putative 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
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative 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
Echinococcus multilocularis aurora kinase A 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Theileria parva cell division control protein 2 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
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma congolense cdc2-related kinase 3, putative 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
Trypanosoma cruzi aurora B kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative 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
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 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 cyclins, 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
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
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like 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
Candida albicans protein serine/threonine kinase 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
Echinococcus multilocularis serine:threonine protein kinase PLK1 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
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
Brugia malayi Cyclin, N-terminal domain containing protein 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
Entamoeba histolytica serine/threonine- protein kinase 6 , putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclins, 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
Leishmania donovani cell division protein kinase 2 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 CMGC family protein kinase 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
Schistosoma mansoni protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia Aurora kinase 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
Plasmodium yoelii putative protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
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
Plasmodium yoelii Protein kinase domain, 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
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus 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
Brugia malayi serine/threonine-protein kinase plk-2 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 infantum cell division 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
Schistosoma japonicum Serine/threonine-protein kinase 12, putative 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
Entamoeba histolytica cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
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
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 serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major cell division related protein kinase 2,cdc2-related 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
Schistosoma mansoni protein kinase 0.0069 0.1882 0.147
Schistosoma mansoni cyclin B 0.009 0.2622 0.2247
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.0939 0.3424
Schistosoma mansoni kinase 0.0059 0.153 0.11
Brugia malayi Cyclin, N-terminal domain containing protein 0.009 0.2622 0.2622
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.1477 0.0768
Trichomonas vaginalis AGC family protein kinase 0.0069 0.1882 0.1207
Loa Loa (eye worm) AUR protein kinase 0.0069 0.1882 0.1882
Trypanosoma cruzi cdc2-related kinase 3 0.0053 0.1316 0.2796
Plasmodium falciparum serine/threonine protein kinase, putative 0.0069 0.1882 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.009 0.2622 0.7078
Echinococcus multilocularis cyclins 0.0038 0.0767 0.0801
Brugia malayi Bromodomain containing protein 0.0163 0.5203 0.5203
Schistosoma mansoni hypothetical protein 0.0045 0.1027 0.0571
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.1316 0.1316
Entamoeba histolytica cyclin, putative 0.009 0.2622 0.6755
Echinococcus granulosus cyclin dependent kinase 0.0053 0.1316 0.2349
Echinococcus multilocularis cyclins 0.0038 0.0767 0.0801
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.0939 0.0186
Brugia malayi hypothetical protein 0.0029 0.0464 0.0464
Schistosoma mansoni hypothetical protein 0.0043 0.0969 0.051
Echinococcus multilocularis cyclin dependent kinase 5 0.0053 0.1316 0.2349
Loa Loa (eye worm) hypothetical protein 0.0093 0.2718 0.2718
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0078 0.2202 0.4849
Giardia lamblia Kinase, PLK 0.0115 0.3512 1
Trypanosoma cruzi aurora B kinase, putative 0.0069 0.1882 0.4653
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.3512 0.2973
Echinococcus granulosus dnaJ subfamily C 6 0.007 0.1907 0.4016
Trichomonas vaginalis cyclins, putative 0.009 0.2622 0.2008
Brugia malayi N-terminal motif family protein 0.0217 0.7102 0.7102
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0049 0.1174 0.1947
Brugia malayi Bromodomain containing protein 0.0083 0.2384 0.2384
Loa Loa (eye worm) bromodomain containing protein 0.0038 0.0799 0.0799
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.1316 0.1999
Trypanosoma cruzi cyclin 6, putative 0.009 0.2622 0.7078
Schistosoma mansoni methyl-cpg binding protein mbd 0.0037 0.0752 0.0282
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0969 0.1368
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0115 0.3512 0.8545
Loa Loa (eye worm) glutaminase 2 0.0299 1 1
Trypanosoma cruzi cyclin, putative 0.009 0.2622 0.7078
Schistosoma mansoni hypothetical protein 0.0033 0.0617 0.014
Echinococcus multilocularis zinc finger protein 0.0043 0.0946 0.1304
Echinococcus granulosus cyclin dependent kinase 1 0.0053 0.1316 0.2349
Echinococcus granulosus cyclin dependent kinase 5 0.0053 0.1316 0.2349
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0752 0.0282
Brugia malayi serine/threonine protein kinase 6 0.0069 0.1882 0.1882
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1316 0.0594
Giardia lamblia Kinase, CMGC CDK 0.0053 0.1316 0.1999
Schistosoma mansoni cyclins 0.0038 0.0767 0.0298
Loa Loa (eye worm) inositol-1 0.0042 0.0939 0.0939
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.1316 0.2349
Loa Loa (eye worm) hypothetical protein 0.0154 0.4875 0.4875
Loa Loa (eye worm) glutaminase 0.0299 1 1
Trypanosoma cruzi cdc2-related kinase 1 0.0053 0.1316 0.2796
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0939 0.0186
Echinococcus multilocularis cyclin B3 1 0.0038 0.0767 0.0801
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0115 0.3512 1
Schistosoma mansoni bromodomain containing protein 0.0138 0.4303 0.4014
Loa Loa (eye worm) hypothetical protein 0.0217 0.7102 0.7102
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0969 0.051
Brugia malayi serine/threonine kinase 12 0.0069 0.1882 0.1882
Trichomonas vaginalis cyclins, putative 0.009 0.2622 0.2008
Brugia malayi serine/threonine-protein kinase 6 0.0069 0.1882 0.1882
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.3512 0.2973
Loa Loa (eye worm) hypothetical protein 0.009 0.2622 0.2622
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.3136 0.2788
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0042 0.0939 0.0624
Schistosoma mansoni methyl-cpg binding protein mbd 0.0037 0.0752 0.0282
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0752 0.0757
Trypanosoma brucei aurora B kinase 0.0069 0.1882 0.4653
Brugia malayi hypothetical protein 0.0019 0.0101 0.0101
Entamoeba histolytica protein kinase , putative 0.0069 0.1882 0.4061
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.3512 0.2973
Loa Loa (eye worm) hypothetical protein 0.0029 0.0464 0.0464
Trypanosoma brucei cdc2-related kinase 3 0.0053 0.1316 0.2796
Echinococcus granulosus cyclins 0.0038 0.0767 0.0801
Entamoeba histolytica hypothetical protein 0.0043 0.0969 0.0732
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1316 0.0594
Entamoeba histolytica protein kinase, putative 0.0069 0.1882 0.4061
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.0939 0.1284
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.3512 0.3183
Echinococcus granulosus cyclins 0.0038 0.0767 0.0801
Trypanosoma brucei ISWI complex protein 0.0033 0.0617 0.0504
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.009 0.2622 0.7078
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0105 0.3136 0.7484
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.0939 0.1284
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0939 0.1559
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.3512 0.2973
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0053 0.1316 0.2796
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0078 0.2202 0.4849
Plasmodium falciparum cyclin 0.0038 0.0767 0.2142
Loa Loa (eye worm) cyclin domain-containing protein 0.0038 0.0767 0.0767
Giardia lamblia Aurora kinase 0.0069 0.1882 0.4061
Echinococcus multilocularis cyclin b3 0.0038 0.0767 0.0801
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0464 0.0111
Echinococcus multilocularis cyclins 0.0038 0.0767 0.0801
Echinococcus granulosus cyclins 0.0038 0.0767 0.0801
Echinococcus multilocularis aurora kinase A 0.0069 0.1882 0.3946
Entamoeba histolytica hypothetical protein 0.0043 0.0969 0.0732
Schistosoma mansoni cyclin B3 0.0038 0.0767 0.0298
Echinococcus granulosus cyclin B3 1 0.0038 0.0767 0.0801
Trichomonas vaginalis cyclin B, putative 0.009 0.2622 0.2008
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0069 0.1882 0.4061
Leishmania major hypothetical protein, conserved 0.0033 0.0617 0.0504
Brugia malayi Inositol-1 0.0042 0.0939 0.0939
Brugia malayi Cyclin, N-terminal domain containing protein 0.009 0.2622 0.2622
Schistosoma mansoni inositol monophosphatase 0.0042 0.0939 0.0478
Trypanosoma cruzi cyclin, putative 0.009 0.2622 0.7078
Echinococcus multilocularis dnaJ subfamily C 6 0.007 0.1907 0.4016
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1316 0.0875
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0053 0.1316 0.2349
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0105 0.3136 0.3136
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0217 0.7102 1
Brugia malayi hypothetical protein 0.0043 0.0969 0.0969
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0038 0.0767 0.0801
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0038 0.0767 0.0801
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.0939 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0115 0.3512 1
Echinococcus multilocularis cyclins 0.0038 0.0767 0.0801
Toxoplasma gondii aurora kinase 0.0069 0.1882 1
Echinococcus multilocularis cyclins 0.0038 0.0767 0.0801
Entamoeba histolytica serine/threonine protein kinase, putative 0.0115 0.3512 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0752 0.0282
Trichomonas vaginalis cyclin B, putative 0.009 0.2622 0.2008
Trichomonas vaginalis protein kinase inhibitor, putative 0.007 0.1907 0.1234
Echinococcus multilocularis cyclins 0.0038 0.0767 0.0801
Giardia lamblia G2/mitotic-specific cyclin B 0.009 0.2622 0.6755
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0053 0.1316 0.2796
Echinococcus granulosus methyl CpG binding domain protein 2 0.0037 0.0752 0.0757
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.3512 0.2973
Plasmodium vivax protein kinase Crk2 0.0053 0.1316 0.6009
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0484 0.0484
Trypanosoma cruzi polo-like protein kinase, putative 0.0115 0.3512 1
Trypanosoma cruzi ISWI complex protein 0.0033 0.0617 0.0504
Loa Loa (eye worm) hypothetical protein 0.0089 0.2571 0.2571
Trypanosoma brucei polo-like protein kinase 0.0115 0.3512 1
Echinococcus multilocularis cyclins 0.0038 0.0767 0.0801
Plasmodium falciparum protein kinase 5 0.0053 0.1316 0.6009
Trichomonas vaginalis cyclins, putative 0.0062 0.1616 0.0919
Brugia malayi PHD-finger family protein 0.0054 0.1356 0.1356
Loa Loa (eye worm) hypothetical protein 0.0083 0.239 0.239
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.013 0.4028 1
Loa Loa (eye worm) DnaJ domain-containing protein 0.007 0.1907 0.1907
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0049 0.1174 0.0725
Trichomonas vaginalis glutaminase, putative 0.0299 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.3512 0.2973
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0115 0.3512 0.8545
Loa Loa (eye worm) hypothetical protein 0.0029 0.0465 0.0465
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0939 0.1559
Loa Loa (eye worm) AUR protein kinase 0.0069 0.1882 0.1882
Loa Loa (eye worm) hypothetical protein 0.0052 0.1264 0.1264
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0105 0.3136 0.7484
Brugia malayi serine/threonine-protein kinase plk-2 0.0115 0.3512 0.3512
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0115 0.3512 0.3512
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0752 0.0757
Brugia malayi DnaJ domain containing protein 0.007 0.1907 0.1907
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0037 0.0752 0.0757
Loa Loa (eye worm) PHD-finger family protein 0.0045 0.1027 0.1027
Trypanosoma brucei cdc2-related kinase 1 0.0053 0.1316 0.2796
Trichomonas vaginalis cyclin A, putative 0.009 0.2622 0.2008
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.1477 0.0768
Echinococcus granulosus zinc finger protein 0.0043 0.0946 0.1304
Brugia malayi intermediate filament protein 0.0029 0.0484 0.0484
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.3136 0.2788
Echinococcus multilocularis cyclin dependent kinase 0.0053 0.1316 0.2349
Trichomonas vaginalis cyclin B, putative 0.009 0.2622 0.2008
Loa Loa (eye worm) hypothetical protein 0.0037 0.0752 0.0752
Echinococcus multilocularis cyclin B 0.009 0.2622 0.6032
Onchocerca volvulus 0.009 0.2622 0.3231
Giardia lamblia Kinase, CMGC CDK 0.0053 0.1316 0.1999
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.1316 0.2349
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0969 0.1368
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0939 0.1559
Trichomonas vaginalis AGC family protein kinase 0.0069 0.1882 0.1207
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0069 0.1882 0.3946
Entamoeba histolytica protein kinase domain containing protein 0.0069 0.1882 0.4061
Schistosoma mansoni zinc finger protein 0.0043 0.0946 0.0486
Leishmania major cyclin 0.009 0.2622 0.7078
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0038 0.0782 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0105 0.3136 0.3136
Echinococcus granulosus fetal alzheimer antigen falz 0.0049 0.1174 0.1947
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1316 0.0594
Echinococcus granulosus cyclins 0.0038 0.0767 0.0801
Schistosoma mansoni inositol monophosphatase 0.0042 0.0939 0.0478
Trypanosoma cruzi cdc2-related kinase 1 0.0053 0.1316 0.2796
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0484 0.0484
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0069 0.1882 0.4061
Trichomonas vaginalis cyclins, putative 0.009 0.2622 0.2008
Trichomonas vaginalis CAMK family protein kinase 0.0115 0.3512 0.2973
Trichomonas vaginalis AGC family protein kinase 0.0069 0.1882 0.1207
Trichomonas vaginalis AGC family protein kinase 0.0069 0.1882 0.1207
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0053 0.1316 0.6054
Trichomonas vaginalis cyclin B, putative 0.009 0.2622 0.2008
Echinococcus granulosus cyclins 0.0038 0.0767 0.0801
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0069 0.1882 0.3946
Entamoeba histolytica hypothetical protein 0.0043 0.0969 0.0732
Brugia malayi Cyclin, N-terminal domain containing protein 0.0038 0.0767 0.0767
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0484 0.0484
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0105 0.3136 0.7484
Brugia malayi cell division control protein 2 homolog 0.0053 0.1316 0.1316
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.1316 0.1999
Loa Loa (eye worm) hypothetical protein 0.0052 0.1296 0.1296
Entamoeba histolytica hypothetical protein 0.0043 0.0969 0.0732
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0105 0.3136 0.7484
Leishmania major protein kinase, putative 0.0069 0.1882 0.4653
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.013 0.4028 1
Schistosoma mansoni glutaminase 0.0299 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0939 0.0186
Trypanosoma brucei mitotic cyclin 6 0.009 0.2622 0.7078
Brugia malayi Protein kinase domain containing protein 0.0053 0.1316 0.1316
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0939 0.1559
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.3136 0.2788
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0038 0.0782 0.5
Echinococcus granulosus cyclin b3 0.0038 0.0767 0.0801
Onchocerca volvulus Serine\/threonine kinase homolog 0.0115 0.3512 0.4577
Loa Loa (eye worm) hypothetical protein 0.0029 0.0484 0.0484
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0053 0.1316 0.1316
Echinococcus granulosus cyclin B 0.009 0.2622 0.6032
Trypanosoma cruzi ISWI complex protein 0.0033 0.0617 0.0504
Trypanosoma cruzi cdc2-related kinase 3 0.0053 0.1316 0.2796
Loa Loa (eye worm) hypothetical protein 0.009 0.2622 0.2622
Schistosoma mansoni hypothetical protein 0.007 0.1907 0.1496
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0069 0.1882 0.4061
Schistosoma mansoni zinc finger protein 0.0033 0.0617 0.014
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1316 0.0875
Echinococcus granulosus aurora kinase A 0.0069 0.1882 0.3946
Trichomonas vaginalis cyclins, putative 0.009 0.2622 0.2008
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.1316 0.1316
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0069 0.1882 1
Mycobacterium ulcerans glutaminase 0.0299 1 1
Entamoeba histolytica protein kinase, putative 0.0069 0.1882 0.4061
Loa Loa (eye worm) AUR protein kinase 0.0069 0.1882 0.1882
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.1882 0.147

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of Plk2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting ChEMBL. 20397705
IC50 (binding) Inhibition of Plk3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting ChEMBL. 20397705
IC50 (binding) = 1.12 uM Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting ChEMBL. 20397705
IC50 (binding) = 3.733 uM Inhibition of GST-tagged PLK1 expressed in H5 insect cells assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting ChEMBL. 20397705
IC50 (functional) = 8.3 uM Antiproliferative activity against human A2780 cells assessed as intracellular ATP level after 72 hrs by luminometry ChEMBL. 20397705
IC50 (binding) > 10 uM Inhibition of Aurora A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting ChEMBL. 20397705

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20397705

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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