Detailed information for compound 1127261

Basic information

Technical information
  • TDR Targets ID: 1127261
  • Name: 4-(2-ethylamino-4-methyl-1,3-thiazol-5-yl)-N- (3,4,5-trimethoxyphenyl)pyrimidin-2-amine
  • MW: 401.483 | Formula: C19H23N5O3S
  • H donors: 2 H acceptors: 3 LogP: 3.8 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNc1nc(c(s1)c1ccnc(n1)Nc1cc(OC)c(c(c1)OC)OC)C
  • InChi: 1S/C19H23N5O3S/c1-6-20-19-22-11(2)17(28-19)13-7-8-21-18(24-13)23-12-9-14(25-3)16(27-5)15(10-12)26-4/h7-10H,6H2,1-5H3,(H,20,22)(H,21,23,24)
  • InChiKey: LNGVCHKMQJKHDR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(2-ethylamino-4-methyl-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
  • 4-(2-ethylamino-4-methyl-5-thiazolyl)-N-(3,4,5-trimethoxyphenyl)-2-pyrimidinamine
  • [4-(2-ethylamino-4-methyl-thiazol-5-yl)pyrimidin-2-yl]-(3,4,5-trimethoxyphenyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin-dependent kinase 7 Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 4 Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 Starlite/ChEMBL References
Homo sapiens aurora kinase B Starlite/ChEMBL References
Homo sapiens aurora kinase A Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 9 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Giardia lamblia Aurora kinase 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 7 Get druggable targets OG5_129224 All targets in OG5_129224
Cryptosporidium parvum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis protein kinase, putative 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
Neospora caninum CMGC kinase, CDK family TgPK2, 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
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
Echinococcus multilocularis cyclin dependent 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
Leishmania major cell division related protein kinase 2,cdc2-related 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
Entamoeba histolytica serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis AGC family protein kinase 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
Plasmodium berghei cdc2-related kinase 2 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
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni kinase Get druggable targets OG5_130531 All targets in OG5_130531
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus aurora kinase A 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
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase Get druggable targets OG5_130531 All targets in OG5_130531
Schistosoma japonicum Serine/threonine-protein kinase 12, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum expressed protein Get druggable targets OG5_129224 All targets in OG5_129224
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans CDC2-related protein kinase Get druggable targets OG5_130531 All targets in OG5_130531
Leishmania braziliensis cell division protein kinase 2,cdc2-related kinase 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 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
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 congolense aurora B 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
Trichomonas vaginalis CMGC family protein kinase 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 japonicum ko:K02211 cyclin-dependent kinase 9, putative Get druggable targets OG5_130531 All targets in OG5_130531
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129224 All targets in OG5_129224
Trypanosoma cruzi cdc2-related kinase 3 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 mansoni serine/threonine 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
Candida albicans Serine-threonine kinase, subunit of RNA Pol TFIIK. Get druggable targets OG5_129224 All targets in OG5_129224
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 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
Trichomonas vaginalis AGC family protein kinase 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
Cryptosporidium parvum Cdc2-like CDK2/CDC28 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
Leishmania infantum cell division protein kinase 2,cdc2-related 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
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_130531 All targets in OG5_130531
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase 9 Get druggable targets OG5_130531 All targets in OG5_130531
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Neospora caninum hypothetical protein 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 cruzi aurora B kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_130531 All targets in OG5_130531
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
Entamoeba histolytica protein kinase domain containing protein 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
Brugia malayi cell division control protein 2 homolog 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
Candida albicans similar ot C terminus of S. cerevisiae SGV1 (YPR161C) Get druggable targets OG5_130531 All targets in OG5_130531
Brugia malayi cyclin-dependent kinase 7 homolog Get druggable targets OG5_129224 All targets in OG5_129224
Echinococcus multilocularis 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
Plasmodium yoelii Protein kinase domain, putative 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
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans Serine-threonine kinase, subunit of RNA Pol TFIIK. Get druggable targets OG5_129224 All targets in OG5_129224
Plasmodium berghei serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin dependent kinase 9 Get druggable targets OG5_130531 All targets in OG5_130531
Leishmania donovani Aurora I-related kinase Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase Get druggable targets OG5_129224 All targets in OG5_129224
Brugia malayi cyclin-dependent kinase 9 Get druggable targets OG5_130531 All targets in OG5_130531
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02211 cyclin-dependent kinase 9, putative Get druggable targets OG5_130531 All targets in OG5_130531
Leishmania donovani cell division protein kinase 2 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
Plasmodium yoelii cdc2-related kinase 2 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
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase , putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus cyclin dependent kinase 7 Get druggable targets OG5_129224 All targets in OG5_129224
Leishmania infantum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis cyclin dependent kinase 9 Get druggable targets OG5_130531 All targets in OG5_130531
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129224 All targets in OG5_129224
Cryptosporidium hominis cdc2-like protein kinase 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
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
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Toxoplasma gondii aurora kinase 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
Brugia malayi serine/threonine kinase 12 Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania mexicana protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium knowlesi Cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase 9 Get druggable targets OG5_130531 All targets in OG5_130531
Brugia malayi serine/threonine protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis 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 aurora kinase B 303 aa 299 aa 22.1 %
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 9 372 aa 313 aa 31.6 %
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 4 303 aa 312 aa 29.8 %
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 3 305 aa 303 aa 32.0 %
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 7 346 aa 311 aa 32.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0055 0.0966 0.1149
Brugia malayi serine/threonine protein kinase 6 0.0138 0.4113 0.4867
Trichomonas vaginalis set domain proteins, putative 0.0281 0.9481 1
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0138 0.4113 1
Trypanosoma cruzi aurora B kinase, putative 0.0138 0.4113 0.4894
Trichomonas vaginalis DNA topoisomerase II, putative 0.0069 0.1499 0.1581
Schistosoma mansoni kinase 0.0057 0.1065 0.1657
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0948 0.1424
Trichomonas vaginalis AGC family protein kinase 0.0138 0.4113 0.4338
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0069 0.1499 0.1583
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0069 0.1499 0.1583
Mycobacterium ulcerans DNA gyrase subunit B 0.0295 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0948 0.1816
Trichomonas vaginalis AGC family protein kinase 0.0138 0.4113 0.4338
Echinococcus granulosus cyclin dependent kinase 9 0.0057 0.1065 0.2039
Loa Loa (eye worm) AUR protein kinase 0.0138 0.4113 0.4867
Plasmodium falciparum serine/threonine protein kinase, putative 0.0138 0.4113 0.3483
Giardia lamblia DNA topoisomerase II 0.006 0.1151 0.0588
Trichomonas vaginalis AGC family protein kinase 0.0138 0.4113 0.4338
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0055 0.0966 0.1849
Loa Loa (eye worm) hypothetical protein 0.0052 0.0847 0.0764
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0239 0.0458
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0948 0.1816
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase 0.0057 0.1065 0.1038
Leishmania major hypothetical protein, conserved 0.0252 0.8403 1
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0966 0.1018
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.2505 0.4548
Brugia malayi serine/threonine kinase 12 0.0138 0.4113 0.4867
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0055 0.0966 0.1149
Echinococcus granulosus geminin 0.0168 0.5222 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0138 0.4113 0.3968
Trypanosoma cruzi hypothetical protein, conserved 0.0252 0.8403 1
Toxoplasma gondii aurora kinase 0.0138 0.4113 0.7626
Entamoeba histolytica protein kinase domain containing protein 0.0138 0.4113 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0138 0.4113 0.7876
Trypanosoma cruzi cdc2-related kinase 3 0.0055 0.0966 0.1149
Schistosoma mansoni hypothetical protein 0.0168 0.5222 1
Echinococcus granulosus cyclin dependent kinase 7 0.0096 0.2505 0.4798
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0247 0.8197 1
Schistosoma mansoni protein kinase 0.0138 0.4113 0.7774
Entamoeba histolytica cell division protein kinase 2, putative 0.0064 0.1323 0.1137
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.1065 0.1657
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0295 1 0.5
Giardia lamblia Aurora kinase 0.0138 0.4113 1
Trypanosoma brucei cdc2-related kinase 3 0.0055 0.0966 0.0338
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0966 0.1458
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0069 0.1499 0.287
Leishmania major protein kinase, putative 0.0138 0.4113 0.4894
Entamoeba histolytica protein kinase , putative 0.0138 0.4113 1
Plasmodium falciparum DNA topoisomerase 2 0.0069 0.1499 0.059
Plasmodium vivax DNA topoisomerase II, putative 0.0069 0.1499 0.1291
Plasmodium falciparum DNA gyrase subunit B 0.0295 1 1
Trypanosoma cruzi cdc2-related kinase 1 0.0055 0.0966 0.1149
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0055 0.0966 0.1431
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0295 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0966 0.1018
Entamoeba histolytica protein kinase, putative 0.0138 0.4113 1
Onchocerca volvulus 0.0281 0.9481 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0295 1 0.5
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0069 0.1499 0.1363
Plasmodium vivax protein kinase Crk2 0.0055 0.0966 0.0744
Brugia malayi cell division control protein 2 homolog 0.0055 0.0966 0.0913
Schistosoma mansoni DNA topoisomerase II 0.0069 0.1499 0.2528
Brugia malayi Pre-SET motif family protein 0.0247 0.8197 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0048 0.0706 0.084
Brugia malayi Protein kinase domain containing protein 0.0055 0.0966 0.0913
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0138 0.4113 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.017 0.5318 0.6329
Entamoeba histolytica DNA topoisomerase II, putative 0.0069 0.1499 0.1694
Echinococcus multilocularis aurora kinase A 0.0138 0.4113 0.7876
Echinococcus multilocularis cyclin dependent kinase 9 0.0067 0.1423 0.2724
Leishmania major mitochondrial DNA topoisomerase II 0.017 0.5318 0.6329
Loa Loa (eye worm) AUR protein kinase 0.0138 0.4113 0.4867
Brugia malayi cyclin-dependent kinase 7 homolog 0.0105 0.2863 0.3297
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0239 0.0458
Echinococcus multilocularis geminin 0.0168 0.5222 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0069 0.1499 0.248
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0055 0.0966 0.0913
Trypanosoma cruzi cdc2-related kinase 3 0.0055 0.0966 0.1149
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0138 0.4113 0.7876
Echinococcus multilocularis cyclin dependent kinase 0.0055 0.0966 0.1849
Trypanosoma cruzi DNA topoisomerase II, putative 0.0048 0.0706 0.084
Trypanosoma cruzi cdc2-related kinase 1 0.0055 0.0966 0.1149
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.017 0.5318 0.6329
Echinococcus granulosus cyclin dependent kinase 5 0.0055 0.0966 0.1849
Echinococcus multilocularis cyclin dependent kinase 9 0.0057 0.1065 0.2039
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0055 0.0966 0.0913
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0948 0.1424
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0966 0.1018
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0966 0.1458
Trypanosoma brucei hypothetical protein, conserved 0.0252 0.8403 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0055 0.0966 0.1849
Echinococcus multilocularis cyclin dependent kinase 1 0.0055 0.0966 0.1849
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0096 0.2505 0.2848
Echinococcus multilocularis cyclin dependent kinase 1 0.0055 0.0966 0.1849
Entamoeba histolytica protein kinase, putative 0.0138 0.4113 1
Entamoeba histolytica protein kinase domain containing protein 0.0057 0.1065 0.0315
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0948 0.1816
Echinococcus granulosus cyclin dependent kinase 1 0.0055 0.0966 0.1849
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0055 0.0966 0.0913
Brugia malayi serine/threonine-protein kinase 6 0.0138 0.4113 0.4867
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0948 0.0891
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0948 0.1424
Trichomonas vaginalis AGC family protein kinase 0.0138 0.4113 0.4338
Loa Loa (eye worm) TOPoisomerase family member 0.0069 0.1499 0.1583
Echinococcus granulosus cyclin dependent kinase 9 0.0067 0.1423 0.2724
Trypanosoma brucei aurora B kinase 0.0138 0.4113 0.4426
Loa Loa (eye worm) hypothetical protein 0.0048 0.0706 0.0586
Schistosoma mansoni hypothetical protein 0.0168 0.5222 1
Trypanosoma brucei cdc2-related kinase 1 0.0055 0.0966 0.0338
Trypanosoma cruzi hypothetical protein, conserved 0.0252 0.8403 1
Echinococcus granulosus cyclin dependent kinase 0.0055 0.0966 0.1849
Brugia malayi Probable DNA topoisomerase II 0.0069 0.1499 0.1583
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0101 0.2726 0.5
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.017 0.5318 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0295 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.019 0.0364
Schistosoma mansoni serine/threonine protein kinase 0.0138 0.4113 0.7774
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0069 0.1499 0.1363
Trypanosoma brucei DNA topoisomerase ii 0.017 0.5318 0.5992
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0948 0.0891
Loa Loa (eye worm) hypothetical protein 0.0048 0.0706 0.0586
Echinococcus granulosus aurora kinase A 0.0138 0.4113 0.7876
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.2505 0.4548
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0069 0.1499 0.1363
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0069 0.1499 0.287
Echinococcus multilocularis cyclin dependent kinase 7 0.0096 0.2505 0.4798
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0948 0.1816
Brugia malayi cyclin-dependent kinase 9 0.0057 0.1065 0.1038
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0138 0.4113 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0239 0.0458
Loa Loa (eye worm) AUR protein kinase 0.0138 0.4113 0.4867
Leishmania major DNA topoisomerase ii 0.0048 0.0706 0.084

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 389 nM Cytotoxicity against human A2780 cells after 96 hrs by MTT assay ChEMBL. 20462263
IC50 (functional) = 994 nM Cytotoxicity against human MIAPaCa2 cells after 96 hrs by MTT assay ChEMBL. 20462263
Ki (binding) = 3 nM Inhibition of human recombinant Aurora A after 30 mins ChEMBL. 20462263
Ki (binding) = 6 nM Inhibition of human recombinant Aurora B after 60 mins ChEMBL. 20462263
Ki (binding) = 463 nM Inhibition of CDK2 ChEMBL. 20462263
Ki (binding) = 564 nM Inhibition of CDK9 ChEMBL. 20462263
Ki (binding) = 1224 nM Inhibition of CDK1 ChEMBL. 20462263
Ki (binding) = 1395 nM Inhibition of CDK7 ChEMBL. 20462263
Ki (binding) > 10000 nM Inhibition of CDK4 ChEMBL. 20462263

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20462263

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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