Detailed information for compound 972853

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 450.535 | Formula: C27H26N6O
  • H donors: 2 H acceptors: 3 LogP: 4.06 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1cccc2c1nc([nH]2)c1n[nH]c2c1ccc(c2)c1ccc(cc1)C(=O)C
  • InChi: 1S/C27H26N6O/c1-17(34)18-6-8-19(9-7-18)20-10-11-21-23(16-20)30-31-25(21)27-28-22-4-3-5-24(26(22)29-27)33-14-12-32(2)13-15-33/h3-11,16H,12-15H2,1-2H3,(H,28,29)(H,30,31)
  • InChiKey: RYPZLFZFYMAFNB-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein kinase C, iota Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase Get druggable targets OG5_131830 All targets in OG5_131830
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase 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
Schistosoma mansoni atypical protein kinase C Get druggable targets OG5_131830 All targets in OG5_131830
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 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
Loa Loa (eye worm) CMGC/CDK/CDC2 protein 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
Trypanosoma cruzi cdc2-related kinase 1 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
Echinococcus granulosus cyclin dependent kinase 1 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
Brugia malayi protein kinase C3,putative Get druggable targets OG5_131830 All targets in OG5_131830
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Babesia bovis cell division control protein 2, putative 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 CMGC family 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 protein kinase c iota type Get druggable targets OG5_131830 All targets in OG5_131830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi cell division control protein 2 homolog 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
Plasmodium vivax protein kinase Crk2 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
Echinococcus multilocularis cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei gambiense cell division protein kinase 2 homolog 1,cdc2- like protein kinase, 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
Plasmodium knowlesi Cell division control protein 2 homolog 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
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 3, putative 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
Plasmodium falciparum protein kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus protein kinase c iota type Get druggable targets OG5_131830 All targets in OG5_131830
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
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 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
Plasmodium berghei cdc2-related kinase 2 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
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase 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
Echinococcus multilocularis cyclin dependent kinase 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
Entamoeba histolytica cell division protein kinase 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
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Neospora caninum CMGC kinase, CDK family TgPK2, putative 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
Schistosoma mansoni serine/threonine protein kinase 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
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K06069 atypical protein kinase C, putative Get druggable targets OG5_131830 All targets in OG5_131830

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
Entamoeba histolytica protein kinase, putative 0.0012 0.0101 0.0162
Echinococcus multilocularis thioredoxin glutathione reductase 0.0075 0.1531 0.1531
Schistosoma mansoni diphosphomevalonate decarboxylase 0.0043 0.0812 0.1323
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0101 0.0063
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0266 0.0434
Schistosoma mansoni hypothetical protein 0.0047 0.0895 0.1458
Leishmania major phosphomevalonate kinase protein, putative 0.0102 0.2139 0.3421
Echinococcus multilocularis N acetylgalactosamine kinase 0.0144 0.3085 0.3085
Trichomonas vaginalis galactokinase, putative 0.0144 0.3085 0.4974
Echinococcus granulosus neuropeptide receptor A26 0.045 1 1
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0101 0.0063
Mycobacterium tuberculosis Probable homoserine kinase ThrB 0.0043 0.0812 0.068
Loa Loa (eye worm) hypothetical protein 0.0043 0.0812 0.1323
Trypanosoma cruzi galactokinase-like protein, putative 0.0241 0.5277 0.8438
Loa Loa (eye worm) hypothetical protein 0.0052 0.1 0.1629
Echinococcus granulosus NDR protein kinase 0.0012 0.0101 0.0101
Toxoplasma gondii NADPH-glutathione reductase 0.0026 0.0415 0.1143
Echinococcus multilocularis serine threonine protein kinase 0.0012 0.0101 0.0101
Schistosoma mansoni galactokinase 0.0144 0.3085 0.5026
Brugia malayi Protein kinase domain containing protein 0.0053 0.1038 0.1691
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0012 0.0101 0.0101
Echinococcus multilocularis geminin 0.0167 0.3607 0.3607
Echinococcus granulosus cyclin dependent kinase 0.0053 0.1038 0.1038
Trichomonas vaginalis CAMK family protein kinase 0.0279 0.6138 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0415 0.0663
Trypanosoma cruzi homoserine kinase 0.0102 0.2139 0.3421
Schistosoma mansoni cpg binding protein 0.003 0.0512 0.0834
Echinococcus granulosus cyclin dependent kinase 5 0.0053 0.1038 0.1038
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0169 0.3653 0.5545
Brugia malayi Protein kinase domain containing protein 0.0012 0.0101 0.0165
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.003 0.0049
Trypanosoma cruzi galactokinase, putative 0.0241 0.5277 0.8438
Mycobacterium ulcerans homoserine kinase 0.0102 0.2139 0.2953
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0279 0.6138 0.9814
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0169 0.3653 0.5545
Brugia malayi Thioredoxin reductase 0.0074 0.1508 0.2458
Onchocerca volvulus 0.001 0.007 0.0114
Loa Loa (eye worm) glutathione reductase 0.0074 0.1508 0.2458
Trichomonas vaginalis galactokinase, putative 0.0059 0.1162 0.181
Trypanosoma cruzi cdc2-related kinase 1 0.0053 0.1038 0.166
Schistosoma mansoni brg-1 associated factor 0.001 0.007 0.0114
Schistosoma mansoni kinase 0.0142 0.3047 0.4964
Mycobacterium tuberculosis Probable dehydrogenase 0.0169 0.3653 0.5545
Trypanosoma cruzi cdc2-related kinase 1 0.0053 0.1038 0.166
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0012 0.0101 0.0101
Leishmania major mevalonate-diphosphate decarboxylase, putative 0.0043 0.0812 0.1298
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0101 0.0165
Mycobacterium tuberculosis Probable oxidoreductase 0.0188 0.4079 0.6274
Plasmodium falciparum protein kinase 5 0.0053 0.1038 0.3163
Echinococcus granulosus diphosphomevalonate decarboxylase 0.0043 0.0812 0.0812
Entamoeba histolytica galactokinase, putative 0.0284 0.6254 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0026 0.0415 0.0676
Brugia malayi mevalonate kinase family protein 0.0102 0.2139 0.3486
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.1038 0.1691
Trypanosoma brucei cdc2-related kinase 1 0.0053 0.1038 0.1691
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0101 0.0063
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0415 0.0663
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0188 0.4079 0.6274
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0266 0.0434
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0104 0.2196 0.3578
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0053 0.1038 0.1691
Loa Loa (eye worm) hypothetical protein 0.0104 0.2196 0.3578
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0279 0.6138 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0415 0.0663
Echinococcus granulosus transcription factor eb 0.0105 0.2208 0.2208
Schistosoma mansoni serine/threonine kinase 0.0012 0.0101 0.0165
Echinococcus granulosus serine:threonine protein kinase N2 0.0012 0.0101 0.0101
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0026 0.0415 0.0663
Trypanosoma brucei cdc2-related kinase 3 0.0053 0.1038 0.1691
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0012 0.0101 0.0101
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0026 0.0415 0.0663
Trichomonas vaginalis CAMK family protein kinase 0.0279 0.6138 1
Entamoeba histolytica protein kinase, putative 0.0012 0.0101 0.0162
Onchocerca volvulus 0.0043 0.0812 0.1323
Entamoeba histolytica protein kinase, putative 0.0012 0.0101 0.0162
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0026 0.0415 0.0676
Brugia malayi brahma associated protein 60 kDa 0.001 0.007 0.0114
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0475 0.0774
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0105 0.0172
Echinococcus multilocularis cyclin dependent kinase 5 0.0053 0.1038 0.1038
Echinococcus granulosus cyclin dependent kinase 1 0.0053 0.1038 0.1038
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0116 0.2453 0.3997
Leishmania major homoserine kinase, putative 0.0102 0.2139 0.3421
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0248 0.5435 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.0012 0.0101 0.0165
Leishmania major galactokinase-like protein 0.0284 0.6254 1
Loa Loa (eye worm) AGC/NDR protein kinase 0.0012 0.0101 0.0165
Trypanosoma cruzi polo-like protein kinase, putative 0.0279 0.6138 0.9814
Trypanosoma brucei galactokinase-like protein, putative 0.0183 0.3981 0.6486
Brugia malayi protein kinase C II. 0.0019 0.0266 0.0434
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0248 0.5435 1
Trypanosoma cruzi phosphomevalonate kinase protein, putative 0.0043 0.0812 0.1298
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.1038 0.1038
Brugia malayi C1-like domain containing protein 0.0009 0.0038 0.0062
Loa Loa (eye worm) STE/STE11/MEKK2 protein kinase 0.0009 0.0038 0.0062
Echinococcus multilocularis serine:threonine protein kinase N2 0.0012 0.0101 0.0101
Trichomonas vaginalis CAMK family protein kinase 0.0138 0.2964 0.4775
Mycobacterium ulcerans diphosphomevalonate decarboxylase 0.0043 0.0812 0.068
Brugia malayi diphosphomevalonate decarboxylase family protein 0.0043 0.0812 0.1323
Trypanosoma cruzi fucose kinase, putative 0.0059 0.1162 0.1859
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0895 0.1458
Brugia malayi Protein kinase domain containing protein 0.0009 0.0038 0.0062
Echinococcus granulosus thioredoxin glutathione reductase 0.0075 0.1531 0.1531
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0101 0.0165
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0101 0.0063
Echinococcus granulosus N acetylgalactosamine kinase 0.0144 0.3085 0.3085
Trypanosoma cruzi galactokinase, putative 0.0284 0.6254 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0019 0.0266 0.0266
Schistosoma mansoni hypothetical protein 0.001 0.007 0.0114
Loa Loa (eye worm) AGC/AKT protein kinase 0.0012 0.0101 0.0165
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0026 0.0415 0.0854
Toxoplasma gondii AGC kinase 0.0012 0.0101 0.0103
Brugia malayi brahma associated protein 60 kDa 0.001 0.007 0.0114
Trypanosoma brucei trypanothione reductase 0.0074 0.1508 0.2458
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0101 0.0063
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0053 0.1038 0.321
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0026 0.0415 0.0676
Onchocerca volvulus Serine\/threonine kinase homolog 0.0279 0.6138 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0012 0.0101 0.0165
Echinococcus granulosus survival motor neuron protein 1 0.023 0.5033 0.5033
Echinococcus granulosus galactokinase 0.0284 0.6254 0.6254
Schistosoma mansoni hypothetical protein 0.001 0.007 0.0114
Mycobacterium tuberculosis Probable reductase 0.0169 0.3653 0.5545
Mycobacterium tuberculosis Probable galactokinase GalK (galactose kinase) 0.0284 0.6254 1
Leishmania major trypanothione reductase 0.0074 0.1508 0.2412
Echinococcus multilocularis SWI:SNF matrix associated 0.001 0.007 0.007
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.5033 0.5033
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0026 0.0415 0.1126
Treponema pallidum hypothetical protein 0.0248 0.5435 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0012 0.0101 0.0165
Mycobacterium tuberculosis Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0146 0.313 0.465
Plasmodium falciparum glutathione reductase 0.0074 0.1508 0.4701
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0053 0.1038 0.166
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0026 0.0415 0.0663
Trypanosoma cruzi polo-like protein kinase, putative 0.0279 0.6138 0.9814
Brugia malayi hypothetical protein 0.023 0.5033 0.82
Trypanosoma cruzi cdc2-related kinase 3 0.0053 0.1038 0.166
Echinococcus granulosus cpg binding protein 0.003 0.0512 0.0512
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.001 0.007 0.0114
Schistosoma mansoni serine/threonine protein kinase 0.0009 0.0038 0.0062
Trypanosoma brucei mevalonate kinase, putative 0.0102 0.2139 0.3486
Loa Loa (eye worm) hypothetical protein 0.023 0.5033 0.82
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0026 0.0415 0.0663
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0188 0.4079 0.6274
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0026 0.0415 0.1126
Trichomonas vaginalis CAMK family protein kinase 0.0279 0.6138 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0169 0.3653 0.6145
Trypanosoma brucei mevalonate-diphosphate decarboxylase 0.0043 0.0812 0.1323
Plasmodium vivax thioredoxin reductase, putative 0.0074 0.1508 0.4701
Brugia malayi glutathione reductase 0.0074 0.1508 0.2458
Onchocerca volvulus 0.0028 0.0475 0.0774
Echinococcus granulosus protein kinase c epsilon type 0.0019 0.0266 0.0266
Schistosoma mansoni hypothetical protein 0.001 0.007 0.0114
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.1038 0.166
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0019 0.0261 0.0425
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0026 0.0415 0.0663
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1048 0.3244
Trichomonas vaginalis CAMK family protein kinase 0.0279 0.6138 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0026 0.0415 0.0663
Giardia lamblia Mevalonate kinase 0.0102 0.2139 0.3013
Brugia malayi CXXC zinc finger family protein 0.0028 0.0475 0.0774
Echinococcus granulosus Protein kinase C brain isozyme 0.0019 0.0266 0.0266
Trichomonas vaginalis galactokinase, putative 0.0144 0.3085 0.4974
Trichomonas vaginalis CAMK family protein kinase 0.0279 0.6138 1
Toxoplasma gondii thioredoxin reductase 0.0074 0.1508 0.4771
Brugia malayi p70 ribosomal S6 kinase beta 0.0012 0.0101 0.0165
Trichomonas vaginalis mercuric reductase, putative 0.0026 0.0415 0.0579
Plasmodium falciparum thioredoxin reductase 0.0026 0.0415 0.1126
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0415 0.0663
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0248 0.5435 0.8596
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.1038 0.1038
Leishmania major mevalonate kinase, putative 0.0102 0.2139 0.3421
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0033 0.0033
Schistosoma mansoni serine/threonine protein kinase 0.0279 0.6138 1
Trypanosoma brucei phosphomevalonate kinase protein, putative 0.0102 0.2139 0.3486
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0074 0.1508 0.1873
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0169 0.3653 0.5545
Chlamydia trachomatis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0189 0.4107 1
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0101 0.0063
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0033 0.0054
Giardia lamblia Diphosphomevalonate decarboxylase 0.0043 0.0812 0.0694
Trichomonas vaginalis galactokinase, putative 0.0043 0.0812 0.1232
Brugia malayi serine/threonine-protein kinase plk-2 0.0279 0.6138 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0019 0.0261 0.0425
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0009 0.0038 0.0062
Mycobacterium ulcerans hypothetical protein 0.0109 0.2298 0.3225
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0012 0.0101 0.0101
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0188 0.4079 0.7067
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1038 0.1691
Schistosoma mansoni hypothetical protein 0.0167 0.3607 0.5877
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0101 0.0063
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0101 0.0165
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0053 0.1038 0.1038
Mycobacterium ulcerans galactokinase 0.0284 0.6254 1
Echinococcus multilocularis serine:threonine protein kinase 38 0.0012 0.0101 0.0101
Trichomonas vaginalis mevalonate kinase, putative 0.0043 0.0812 0.1232
Echinococcus multilocularis cpg binding protein 0.003 0.0512 0.0512
Trypanosoma cruzi galactokinase, putative 0.0284 0.6254 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0012 0.0101 0.0101
Echinococcus granulosus SWI:SNF matrix associated 0.001 0.007 0.007
Onchocerca volvulus 0.0009 0.0038 0.0062
Trypanosoma brucei mevalonate diphosphate decarboxylase 0.0043 0.0812 0.1323
Trichomonas vaginalis CAMK family protein kinase 0.0279 0.6138 1
Trypanosoma cruzi cdc2-related kinase 3 0.0053 0.1038 0.166
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0812 0.1232
Entamoeba histolytica protein kinase, putative 0.0012 0.0101 0.0162
Toxoplasma gondii GHMP kinase, putative 0.0102 0.2139 0.6864
Schistosoma mansoni mevalonate kinase 0.0102 0.2139 0.3486
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1193 0.1944
Brugia malayi Protein kinase domain containing protein 0.0012 0.0101 0.0165
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0105 0.2208 0.3597
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0169 0.3653 0.5545
Trypanosoma cruzi trypanothione reductase, putative 0.0074 0.1508 0.2412
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0026 0.0415 0.0676
Plasmodium falciparum 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0146 0.313 1
Echinococcus multilocularis cyclin dependent kinase 0.0053 0.1038 0.1038
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0019 0.0266 0.0434
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0009 0.0038 0.0062
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0012 0.0101 0.0165
Onchocerca volvulus 0.0047 0.0895 0.1458
Echinococcus multilocularis protein kinase c iota type 0.0119 0.2516 0.2516
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0053 0.1038 0.166
Brugia malayi Protein kinase domain containing protein 0.0012 0.0101 0.0165
Trichomonas vaginalis CAMK family protein kinase 0.0279 0.6138 1
Mycobacterium ulcerans mevalonate kinase, Erg12 0.0102 0.2139 0.2953
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1038 0.1605
Echinococcus multilocularis serine:threonine protein kinase N2 0.0012 0.0101 0.0101
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0279 0.6138 0.6138
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0026 0.0415 0.0676
Echinococcus multilocularis diphosphomevalonate decarboxylase 0.0043 0.0812 0.0812
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0101 0.0063
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0033 0.0033
Giardia lamblia Kinase, PLK 0.0279 0.6138 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0026 0.0415 0.1126
Giardia lamblia Kinase, CMGC CDK 0.0053 0.1038 0.1089
Loa Loa (eye worm) thioredoxin reductase 0.0074 0.1508 0.2458
Trichomonas vaginalis CAMK family protein kinase 0.0138 0.2964 0.4775
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0266 0.0434
Echinococcus granulosus protein kinase c iota type 0.0119 0.2516 0.2516
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0279 0.6138 0.6138
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1038 0.1691
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0101 0.0063
Plasmodium vivax protein kinase Crk2 0.0053 0.1038 0.3163
Trichomonas vaginalis galactokinase, putative 0.0144 0.3085 0.4974
Leishmania major fucose kinase, putative 0.0043 0.0812 0.1298
Mycobacterium tuberculosis Possible D-alpha-D-heptose-7-phosphate kinase HddA 0.0102 0.2139 0.2953
Brugia malayi Hr1 repeat family protein 0.0012 0.0101 0.0165
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0026 0.0415 0.1143
Schistosoma mansoni atypical protein kinase C 0.0126 0.2682 0.4369
Plasmodium falciparum glutathione reductase 0.0026 0.0415 0.1126
Trypanosoma brucei polo-like protein kinase 0.0279 0.6138 1
Brugia malayi Protein kinase domain containing protein 0.0009 0.0038 0.0062
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0101 0.0063
Loa Loa (eye worm) brahma associated protein 0.001 0.007 0.0114
Trypanosoma cruzi homoserine kinase 0.0102 0.2139 0.3421
Plasmodium vivax 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0146 0.313 1
Mycobacterium ulcerans phosphomevalonate kinase 0.0102 0.2139 0.2953
Loa Loa (eye worm) hypothetical protein 0.0012 0.0101 0.0165
Brugia malayi protein kinase C3,putative 0.0109 0.2288 0.3728
Giardia lamblia Kinase, CMGC CDK 0.0053 0.1038 0.1089
Echinococcus granulosus protein kinase C gamma type 0.0012 0.0101 0.0101
Schistosoma mansoni hypothetical protein 0.0167 0.3607 0.5877
Echinococcus multilocularis neuropeptide receptor A26 0.045 1 1
Schistosoma mansoni cpg binding protein 0.0028 0.0475 0.0774
Brugia malayi galactokinase family protein 0.0144 0.3085 0.5026
Brugia malayi Protein kinase c protein 2 0.0009 0.0038 0.0062
Trypanosoma cruzi trypanothione reductase, putative 0.0026 0.0415 0.0663
Schistosoma mansoni survival motor neuron protein 0.0047 0.0895 0.1458
Trypanosoma cruzi fucose kinase, putative 0.0059 0.1162 0.1859
Schistosoma mansoni cpg binding protein 0.003 0.0512 0.0834
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0012 0.0101 0.0165
Loa Loa (eye worm) galactokinase 0.0144 0.3085 0.5026
Echinococcus multilocularis protein kinase c epsilon type 0.0019 0.0266 0.0266
Trypanosoma cruzi mevalonate kinase, putative 0.0102 0.2139 0.3421
Toxoplasma gondii GHMP kinase, N-terminal domain-containing protein 0.0144 0.3085 1
Echinococcus multilocularis neuropeptide s receptor 0.045 1 1
Trypanosoma cruzi phosphomevalonate kinase protein, putative 0.0043 0.0812 0.1298
Treponema pallidum galactokinase 0.0241 0.5277 0.9687
Schistosoma mansoni protein kinase C mu 0.0009 0.0038 0.0062
Trichomonas vaginalis diphosphomevalonate decarboxylase, putative 0.0043 0.0812 0.1232
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0009 0.0038 0.0038
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.001 0.007 0.007
Echinococcus multilocularis galactokinase 0.0284 0.6254 0.6254
Echinococcus multilocularis SWI:SNF matrix associated 0.001 0.007 0.007
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0026 0.0415 0.0415
Echinococcus granulosus geminin 0.0167 0.3607 0.3607
Trichomonas vaginalis galactokinase, putative 0.0144 0.3085 0.4974
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0012 0.0101 0.0101
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0415 0.0663
Entamoeba histolytica serine/threonine protein kinase, putative 0.0279 0.6138 0.9814
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.1038 0.1691
Leishmania major fucose kinase, putative 0.0043 0.0812 0.1298
Brugia malayi SWIB/MDM2 domain containing protein 0.001 0.007 0.0114
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0026 0.0415 0.0676
Echinococcus multilocularis Mevalonate galactokinase 0.0102 0.2139 0.2139
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0101 0.0063
Brugia malayi cell division control protein 2 homolog 0.0053 0.1038 0.1691
Trypanosoma brucei rac serine-threonine kinase, putative 0.0012 0.0101 0.0165
Plasmodium vivax glutathione reductase, putative 0.0074 0.1508 0.4701
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1038 0.1605
Echinococcus multilocularis SWI:SNF matrix associated 0.001 0.007 0.007
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.1038 0.166
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0415 0.0663
Schistosoma mansoni serine/threonine protein kinase 0.0009 0.0038 0.0062
Trypanosoma brucei homoserine kinase 0.0102 0.2139 0.3486
Loa Loa (eye worm) hypothetical protein 0.0102 0.2139 0.3486
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative 0.0043 0.0812 0.1298
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0026 0.0415 0.0415
Plasmodium falciparum thioredoxin reductase 0.0074 0.1508 0.4701
Trichomonas vaginalis glutathione reductase, putative 0.0026 0.0415 0.0579
Echinococcus multilocularis transcription factor eb 0.0105 0.2208 0.2208
Echinococcus granulosus Upstream activation factor subunit UAF30 0.001 0.007 0.007
Echinococcus granulosus Mevalonate galactokinase 0.0102 0.2139 0.2139
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1038 0.1605
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0009 0.0038 0.0038
Trichomonas vaginalis conserved hypothetical protein 0.001 0.007 0.0011
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0026 0.0415 0.1126
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative 0.0043 0.0812 0.1298

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10000 nM Inhibition of human CDK2 ChEMBL. 19097791
IC50 (binding) = 13600 nM Inhibition of human PKCzeta ChEMBL. 19097791

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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