Detailed information for compound 931048

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.445 | Formula: C20H26N4O4
  • H donors: 3 H acceptors: 3 LogP: 2.31 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@@H]1CC[C@H](CC1)NC(=O)c1n[nH]cc1NC(=O)Cc1ccccc1OC
  • InChi: 1S/C20H26N4O4/c1-27-15-9-7-14(8-10-15)22-20(26)19-16(12-21-24-19)23-18(25)11-13-5-3-4-6-17(13)28-2/h3-6,12,14-15H,7-11H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)/t14-,15-
  • InChiKey: YTFORVXPFIUVAF-SHTZXODSSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin A2 Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 References
Homo sapiens glycogen synthase kinase 3 alpha References
Homo sapiens glycogen synthase kinase 3 beta Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani 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
Schistosoma mansoni serine/threonine protein 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
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
Leishmania mexicana protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) hypothetical protein 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
Neospora caninum CMGC kinase, CDK family TgPK2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
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
Trichomonas vaginalis CMGC family protein 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
Echinococcus multilocularis cyclin dependent 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
Trypanosoma brucei gambiense protein kinase, putative,glycogen synthase kinase, 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
Trypanosoma congolense mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cell division protein kinase 2,cdc2-related 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
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 Kinase, CMGC GSK Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania mexicana CYC2-like cyclin, putative,cyclin 6, 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
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium knowlesi glycogen synthase kinase 3, putative 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
Schistosoma mansoni cyclin B 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
Echinococcus multilocularis cyclin dependent kinase 5 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
Trypanosoma cruzi cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cyclin, 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
Trypanosoma cruzi cdc2-related kinase 1 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
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) CMGC/GSK protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus granulosus 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
Plasmodium knowlesi Cell division control protein 2 homolog 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
Echinococcus multilocularis cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium berghei cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis CMGC family protein kinase 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
Plasmodium berghei glycogen synthase kinase 3, 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
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
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
Echinococcus granulosus cyclin dependent kinase 5 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
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Toxoplasma gondii cell-cycle-associated protein kinase GSK, 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
Trypanosoma brucei cdc2-related kinase 1 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 glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 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
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum hypothetical 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
Entamoeba histolytica protein kinase, putative 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
Schistosoma japonicum ko:K08822 glycogen synthase kinase 3 alpha, putative Get druggable targets OG5_126888 All targets in OG5_126888
Brugia malayi intracellular kinase 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
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis glycogen synthase kinase 3 beta Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania braziliensis protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis CMGC family protein 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
Trichomonas vaginalis cyclin A, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium falciparum glycogen synthase kinase 3 Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania braziliensis cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Giardia lamblia Kinase, CMGC GSK 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 infantum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania braziliensis CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium hominis mitotic cyclin-CYC2 Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus granulosus protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans second truncated form of RIM11 Serine/threonine protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania major CYC2-like cyclin, putative,cyclin 6, 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
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
Neospora caninum hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) CMGC/CDK/CDK5 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
Onchocerca volvulus Get druggable targets OG5_126888 All targets in OG5_126888
Cryptosporidium hominis cdc2-like protein kinase 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
Trypanosoma cruzi cdc2-related kinase 3 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
Echinococcus granulosus cyclin dependent kinase 1 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
Leishmania donovani glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Theileria parva cell division control protein 2 related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Theileria parva glycogen synthase kinase, putative 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
Leishmania major cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium yoelii Protein kinase domain, 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
Trypanosoma cruzi cdc2-related kinase 3 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
Entamoeba histolytica protein kinase domain containing protein 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
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium falciparum protein kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania infantum glycogen synthase kinase 3 Get druggable targets OG5_126888 All targets in OG5_126888
Brugia malayi Cyclin, N-terminal domain containing 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 Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans second truncated form of RIM11 Serine/threonine protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Giardia lamblia G2/mitotic-specific cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 3 305 aa 303 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CMGC family protein kinase 0.0117 0.083 1
Loa Loa (eye worm) hypothetical protein 0.0387 0.3218 0.4888
Echinococcus granulosus cyclin dependent kinase 0.0053 0.0271 0.0131
Giardia lamblia Kinase, CMGC GSK 0.0117 0.083 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0271 0.0412
Trypanosoma cruzi cdc2-related kinase 1 0.0053 0.0271 0.1878
Echinococcus multilocularis protein kinase shaggy 0.0117 0.083 0.0698
Onchocerca volvulus 0.0117 0.083 0.117
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.1156 1 1
Trypanosoma cruzi cdc2-related kinase 3 0.0053 0.0271 0.1878
Echinococcus granulosus cyclin dependent kinase 5 0.0053 0.0271 0.0131
Loa Loa (eye worm) matrixin family protein 0.0705 0.6023 0.9148
Echinococcus multilocularis cyclin dependent kinase 5 0.0053 0.0271 0.0131
Trichomonas vaginalis cyclins, putative 0.0039 0.0142 0.1351
Echinococcus granulosus protein kinase shaggy 0.0117 0.083 0.0698
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0271 0.2975
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0318 0.2607 0.6777
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0271 0.0412
Trichomonas vaginalis cyclins, putative 0.0039 0.0142 0.1351
Giardia lamblia Kinase, CMGC CDK 0.0053 0.0271 0.1878
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0387 0.3218 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0271 0.2975
Loa Loa (eye worm) hypothetical protein 0.0052 0.0256 0.0389
Trichomonas vaginalis cyclin B, putative 0.0039 0.0142 0.1351
Trypanosoma brucei cdc2-related kinase 3 0.0053 0.0271 0.1878
Loa Loa (eye worm) hypothetical protein 0.0318 0.2607 0.3959
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0053 0.0271 0.1878
Onchocerca volvulus Matrilysin homolog 0.0318 0.2607 0.4191
Trichomonas vaginalis cyclin B, putative 0.0039 0.0142 0.1351
Brugia malayi Matrixin family protein 0.0318 0.2607 0.3826
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.0271 0.1878
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0117 0.083 0.1261
Trichomonas vaginalis cyclins, putative 0.0039 0.0142 0.1351
Schistosoma mansoni hypothetical protein 0.0451 0.3779 1
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0117 0.083 1
Giardia lamblia Kinase, CMGC CDK 0.0053 0.0271 0.1878
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0271 0.2975
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0053 0.0271 0.1878
Loa Loa (eye worm) hypothetical protein 0.0318 0.2607 0.3959
Brugia malayi Matrixin family protein 0.0769 0.6584 1
Brugia malayi Matrixin family protein 0.0318 0.2607 0.3826
Onchocerca volvulus 0.0318 0.2607 0.4191
Mycobacterium ulcerans hydrolase 0.0387 0.3218 0.5
Brugia malayi Matrixin family protein 0.0318 0.2607 0.3826
Trypanosoma cruzi cdc2-related kinase 3 0.0053 0.0271 0.1878
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.0271 0.0131
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0117 0.083 1
Loa Loa (eye worm) hypothetical protein 0.0318 0.2607 0.3959
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0053 0.0271 0.0412
Brugia malayi intracellular kinase 0.0117 0.083 0.1068
Brugia malayi Hemopexin family protein 0.0451 0.3779 0.5646
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0117 0.083 0.0698
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0053 0.0271 0.0131
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0271 0.0355
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0117 0.083 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.0271 0.0131
Onchocerca volvulus 0.0451 0.3779 0.6184
Entamoeba histolytica protein kinase, putative 0.0117 0.083 1
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0271 0.0355
Brugia malayi Protein kinase domain containing protein 0.0053 0.0271 0.0201
Loa Loa (eye worm) hypothetical protein 0.0039 0.0142 0.0215
Plasmodium falciparum glycogen synthase kinase 3 0.0117 0.083 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0142 0.0215
Brugia malayi Matrixin family protein 0.0318 0.2607 0.3826
Trichomonas vaginalis cyclin B, putative 0.0039 0.0142 0.1351
Trichomonas vaginalis CMGC family protein kinase 0.0117 0.083 1
Trypanosoma brucei cdc2-related kinase 1 0.0053 0.0271 0.1878
Mycobacterium leprae PROBABLE HYDROLASE 0.0387 0.3218 0.5
Loa Loa (eye worm) matrix metalloproteinase 0.0318 0.2607 0.3959
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0117 0.083 0.1892
Echinococcus multilocularis cyclin dependent kinase 0.0053 0.0271 0.0131
Brugia malayi cell division control protein 2 homolog 0.0053 0.0271 0.0201
Echinococcus granulosus cyclin dependent kinase 1 0.0053 0.0271 0.0131
Entamoeba histolytica protein kinase domain containing protein 0.0117 0.083 1
Entamoeba histolytica protein kinase domain containing protein 0.0117 0.083 1
Onchocerca volvulus Matrilysin homolog 0.0705 0.6023 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.0271 0.1878
Giardia lamblia Kinase, CMGC GSK 0.0117 0.083 1
Loa Loa (eye worm) matrixin family protein 0.0769 0.6584 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0387 0.3218 0.4775
Onchocerca volvulus Matrix metalloproteinase homolog 0.0705 0.6023 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.0117 0.083 1
Trypanosoma cruzi cdc2-related kinase 1 0.0053 0.0271 0.1878
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0117 0.083 0.1261
Trichomonas vaginalis cyclin B, putative 0.0039 0.0142 0.1351
Trichomonas vaginalis cyclin A, putative 0.0039 0.0142 0.1351
Trichomonas vaginalis cyclins, putative 0.0039 0.0142 0.1351
Trypanosoma brucei protein kinase, putative 0.0117 0.083 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0117 0.083 0.0698

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 22 uM Trypanocidal activity against bloodstream stage of Trypanosoma brucei brucei assessed as inhibition of proliferation after 72 hrs ChEMBL. 25198388
EC50 (ADMET) = 40 uM Cytotoxicity against human MRC5 cells assessed as growth inhibition after 72 hrs ChEMBL. 25198388
IC50 (binding) = 0.21 uM Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay ChEMBL. 25198388
IC50 (binding) = 0.85 uM Inhibition of human CDK2/cyclin A using Biotin-C6-PKTPKKAKKL substrate ChEMBL. 25198388

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.