Detailed information for compound 1722530

Basic information

Technical information
  • TDR Targets ID: 1722530
  • Name: 3-amino-6-[3-fluoro-4-(4-methylpiperazin-1-yl )sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-car boxamide
  • MW: 471.508 | Formula: C21H22FN7O3S
  • H donors: 2 H acceptors: 6 LogP: 0.81 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)S(=O)(=O)c1ccc(cc1F)c1cnc(c(n1)C(=O)Nc1cccnc1)N
  • InChi: 1S/C21H22FN7O3S/c1-28-7-9-29(10-8-28)33(31,32)18-5-4-14(11-16(18)22)17-13-25-20(23)19(27-17)21(30)26-15-3-2-6-24-12-15/h2-6,11-13H,7-10H2,1H3,(H2,23,25)(H,26,30)
  • InChiKey: AFLCJXMOBVSHJB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-amino-6-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-(3-pyridyl)pyrazine-2-carboxamide
  • 3-amino-6-[3-fluoro-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-(3-pyridyl)-2-pyrazinecarboxamide
  • 3-amino-6-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-(3-pyridyl)pyrazinamide
  • 3-amino-6-[3-fluoro-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-pyridin-3-yl-pyrazine-2-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin-dependent kinase 3 References
Homo sapiens cyclin E1 References
Homo sapiens glycogen synthase kinase 3 beta Starlite/ChEMBL References
Mus musculus glycogen synthase kinase 3 beta Starlite/ChEMBL References
Homo sapiens cyclin E2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma cruzi glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_133273 All targets in OG5_133273
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Onchocerca volvulus Get druggable targets OG5_126888 All targets in OG5_126888
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma cruzi cdc2-related kinase 3 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 braziliensis cell division protein kinase 2,cdc2-related kinase 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 glycogen synthase kinase 3 beta Get druggable targets OG5_126888 All targets in OG5_126888
Theileria parva glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania mexicana protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium vivax protein kinase Crk2 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
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium falciparum glycogen synthase kinase 3 Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis cdc2-like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium berghei cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 3 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
Giardia lamblia Kinase, CMGC GSK Get druggable targets OG5_126888 All targets in OG5_126888
Giardia lamblia Kinase, CMGC GSK Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus multilocularis protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
Brugia malayi intracellular kinase Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus multilocularis cyclin dependent kinase 1 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
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
Plasmodium berghei glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania major cell division related protein kinase 2,cdc2-related kinase 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 donovani glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma brucei cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum glycogen synthase kinase 3 Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma cruzi cdc2-related kinase 1 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
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus granulosus cyclin dependent kinase 5 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans Serine/threonine protein kinase required for induction of IME2 by Ime1p Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma brucei gambiense protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium knowlesi glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/GSK protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative Get druggable targets OG5_126888 All targets in OG5_126888
Entamoeba histolytica cell division protein kinase 2, putative 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
Echinococcus granulosus protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) cyclin domain-containing protein Get druggable targets OG5_133273 All targets in OG5_133273
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Neospora caninum hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania donovani cell division protein kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis glycogen synthase kinase 3 beta Get druggable targets OG5_126888 All targets in OG5_126888
Candida albicans second truncated form of RIM11 Serine/threonine protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma brucei gambiense cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 1, putative 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
Plasmodium falciparum protein kinase 5 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
Schistosoma japonicum ko:K08822 glycogen synthase kinase 3 alpha, putative Get druggable targets OG5_126888 All targets in OG5_126888
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans second truncated form of RIM11 Serine/threonine protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania braziliensis cell division related protein kinase 2,cdc2-related kinase 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
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Trichomonas vaginalis CMGC family protein kinase 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
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Giardia lamblia Kinase, CMGC CDK 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
Leishmania infantum cell division related protein kinase 2,cdc2-related 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
Loa Loa (eye worm) CMGC/GSK protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma cruzi cdc2-related kinase 1 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
Plasmodium vivax glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Giardia lamblia Kinase, CMGC CDK 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 3 305 aa 303 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.264 0.3047
Giardia lamblia Kinase, CMGC GSK 0.0117 0.2371 1
Echinococcus multilocularis cyclin b3 0.0043 0.0547 0.0631
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.2189 0.8342
Echinococcus granulosus cyclin dependent kinase 5 0.0053 0.0803 0.0927
Plasmodium falciparum glutathione reductase 0.0048 0.0672 0.0682
Onchocerca volvulus 0.0236 0.5312 0.5206
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.2189 0.8342
Trypanosoma cruzi cdc2-related kinase 3 0.0053 0.0803 0.1404
Schistosoma mansoni cyclin B 0.0043 0.0547 0.1467
Giardia lamblia Kinase, CMGC GSK 0.0117 0.2371 1
Echinococcus granulosus cyclins 0.0043 0.0547 0.0631
Schistosoma mansoni hypothetical protein 0.0172 0.3731 1
Echinococcus granulosus cyclins 0.0043 0.0547 0.0631
Brugia malayi Pre-SET motif family protein 0.003 0.0221 0.0326
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.249 1
Entamoeba histolytica protein kinase domain containing protein 0.0117 0.2371 1
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.5656 1
Echinococcus granulosus cyclin dependent kinase 0.0053 0.0803 0.0927
Echinococcus granulosus cyclins 0.0043 0.0547 0.0631
Trypanosoma brucei trypanothione reductase 0.0048 0.0672 0.0682
Echinococcus multilocularis expressed protein 0.0371 0.8666 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0194 0.0224
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.4605 0.4605
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.2189 0.8342
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0249 0.5656 0.8328
Loa Loa (eye worm) hypothetical protein 0.003 0.0221 0.0221
Trypanosoma cruzi cdc2-related kinase 3 0.0053 0.0803 0.1404
Echinococcus multilocularis cyclin dependent kinase 0.0053 0.0803 0.0927
Loa Loa (eye worm) glutathione reductase 0.0048 0.0672 0.0672
Brugia malayi cell division control protein 2 homolog 0.0053 0.0803 0.1183
Echinococcus granulosus cyclins 0.0043 0.0547 0.0631
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0803 0.0803
Echinococcus multilocularis geminin 0.0172 0.3731 0.4305
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.3535 0.5848
Echinococcus granulosus cyclin B 0.0043 0.0547 0.0631
Trypanosoma cruzi cdc2-related kinase 1 0.0053 0.0803 0.1404
Toxoplasma gondii thioredoxin reductase 0.0048 0.0672 0.2094
Brugia malayi Thioredoxin reductase 0.0048 0.0672 0.0989
Giardia lamblia Kinase, CMGC CDK 0.0053 0.0803 0.1404
Trichomonas vaginalis CMGC family protein kinase 0.0117 0.2371 0.3569
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0117 0.2371 0.2736
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0803 0.0803
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0117 0.2371 0.2736
Brugia malayi Pre-SET motif family protein 0.0207 0.4605 0.678
Echinococcus multilocularis cyclins 0.0043 0.0547 0.0631
Echinococcus multilocularis protein kinase shaggy 0.0117 0.2371 0.2736
Mycobacterium tuberculosis Probable reductase 0.0109 0.2189 0.8342
Echinococcus multilocularis cyclins 0.0043 0.0547 0.0631
Schistosoma mansoni hypothetical protein 0.0172 0.3731 1
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.5656 1
Echinococcus multilocularis cyclins 0.0043 0.0547 0.0631
Brugia malayi Cyclin, N-terminal domain containing protein 0.0295 0.6792 1
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.3535 0.5848
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.3535 0.5848
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.2189 0.8342
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.2189 0.8342
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.0803 0.1404
Loa Loa (eye worm) cyclin domain-containing protein 0.0043 0.0547 0.0547
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0221 0.0255
Onchocerca volvulus 0.0117 0.2371 0.2198
Trypanosoma brucei protein kinase, putative 0.0117 0.2371 1
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.5656 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0117 0.2371 1
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0672 0.0672
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.3753 0.6275
Echinococcus granulosus cyclin b3 0.0043 0.0547 0.0631
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.3535 0.5848
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0221 0.0255
Loa Loa (eye worm) hypothetical protein 0.0052 0.0762 0.0762
Plasmodium vivax protein kinase Crk2 0.0053 0.0803 0.2707
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.249 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0295 0.6792 0.6792
Onchocerca volvulus Phospholipase A2 homolog 0.009 0.1701 0.1513
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.3535 0.5848
Giardia lamblia Kinase, CMGC CDK 0.0053 0.0803 0.1404
Entamoeba histolytica protein kinase, putative 0.0117 0.2371 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0117 0.2371 0.2371
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.3753 0.6275
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0117 0.2371 0.2371
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.0547 0.0806
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0672 0.0682
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0053 0.0803 0.1404
Schistosoma mansoni thyroid hormone receptor 0.0148 0.3146 0.8433
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0249 0.5656 0.5656
Brugia malayi intracellular kinase 0.0117 0.2371 0.3491
Toxoplasma gondii hypothetical protein 0.0033 0.0291 0.0326
Echinococcus multilocularis cyclins 0.0043 0.0547 0.0631
Schistosoma mansoni hypothetical protein 0.0128 0.264 0.7076
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0672 0.0775
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0221 0.0593
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.0547 0.0806
Echinococcus granulosus protein kinase shaggy 0.0117 0.2371 0.2736
Schistosoma mansoni cyclin B3 0.0043 0.0547 0.1467
Loa Loa (eye worm) hypothetical protein 0.009 0.1701 0.1701
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.3535 0.5848
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0117 0.2371 1
Leishmania major trypanothione reductase 0.0048 0.0672 0.0682
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0803 0.2153
Brugia malayi Protein kinase domain containing protein 0.0053 0.0803 0.1183
Brugia malayi Phospholipase A2 family protein 0.009 0.1701 0.2504
Trichomonas vaginalis set domain proteins, putative 0.0236 0.5312 0.9326
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0803 0.0501
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0117 0.2371 0.6354
Echinococcus granulosus cyclin dependent kinase 1 0.0053 0.0803 0.0927
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.0803 0.1404
Echinococcus multilocularis cyclin dependent kinase 5 0.0053 0.0803 0.0927
Plasmodium falciparum glycogen synthase kinase 3 0.0117 0.2371 1
Onchocerca volvulus 0.0043 0.0547 0.0333
Echinococcus multilocularis cyclin B3 1 0.0043 0.0547 0.0631
Schistosoma mansoni cyclins 0.0043 0.0547 0.1467
Plasmodium vivax glycogen synthase kinase 3, putative 0.0117 0.2371 1
Trypanosoma brucei cdc2-related kinase 1 0.0053 0.0803 0.1404
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0053 0.0803 0.1404
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.249 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0053 0.0803 0.0927
Echinococcus multilocularis thyroid hormone receptor alpha 0.0148 0.3146 0.3631
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0043 0.0547 0.0631
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0803 0.2153
Loa Loa (eye worm) hypothetical protein 0.0043 0.0547 0.0547
Echinococcus granulosus geminin 0.0172 0.3731 0.4305
Echinococcus granulosus cyclin B3 1 0.0043 0.0547 0.0631
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0117 0.2371 1
Echinococcus multilocularis cyclins 0.0043 0.0547 0.0631
Echinococcus multilocularis cyclin B 0.0043 0.0547 0.0631
Trypanosoma cruzi cdc2-related kinase 1 0.0053 0.0803 0.1404
Echinococcus multilocularis cyclins 0.0043 0.0547 0.0631
Entamoeba histolytica protein kinase domain containing protein 0.0117 0.2371 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0221 0.0593
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.5656 1
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.5656 1
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.3535 0.5848
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0053 0.0803 0.2707
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.0803 0.0927
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.0547 0.0806
Echinococcus multilocularis cyclins 0.0043 0.0547 0.0631
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0053 0.0803 0.0803
Schistosoma mansoni thyroid hormone receptor 0.0148 0.3146 0.8433
Echinococcus granulosus cyclins 0.0043 0.0547 0.0631
Plasmodium falciparum protein kinase 5 0.0053 0.0803 0.1404
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0221 0.0255
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0672 0.2094
Plasmodium vivax glutathione reductase, putative 0.0048 0.0672 0.2094
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0221 0.0593
Trichomonas vaginalis CMGC family protein kinase 0.0117 0.2371 0.3569
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0043 0.0547 0.0631
Loa Loa (eye worm) hypothetical protein 0.0043 0.0547 0.0547
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.264 0.3047
Plasmodium falciparum thioredoxin reductase 0.0048 0.0672 0.0682
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0803 0.0501
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.0803 0.0927
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0672 0.0775
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0221 0.0593
Brugia malayi glutathione reductase 0.0048 0.0672 0.0989
Trypanosoma brucei cdc2-related kinase 3 0.0053 0.0803 0.1404
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.249 1
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.5656 1
Echinococcus granulosus expressed protein 0.0371 0.8666 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0803 0.0501
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.3535 0.3389

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 49 nM Inhibition of GSK3beta-mediated Tau phosphorylation in mouse 3T3 cells after 4 hrs by Western blot analysis ChEMBL. 22489897
Inhibition (binding) Inhibition of GSK3beta-mediated Tau phosphorylation in mouse 3T3 cells after 4 hrs by Western blot analysis ChEMBL. 22489897
Ki (binding) = 9 nM Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity assay ChEMBL. 22489897
Ki (binding) = 1400 nM Inhibition of CDK2/cyclin E expressed in baculovirus infected insect cells using [gamma33P]ATP after 60 mins by scintillation proximity assay ChEMBL. 22489897
Papp (ADMET) = 11 ucm/s Apparent permeability across human Caco2 cells at 10 um after 2 hrs by LC/MS/MS analysis ChEMBL. 22489897

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.