Detailed information for compound 163443

Basic information

Technical information
  • TDR Targets ID: 163443
  • Name: 2,3-dimethoxy-9-(trifluoromethyl)-7,12-dihydr o-5H-indolo[3,2-d][1]benzazepin-6-one
  • MW: 376.329 | Formula: C19H15F3N2O3
  • H donors: 2 H acceptors: 1 LogP: 3.39 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1OC)NC(=O)Cc1c2[nH]c2c1cc(cc2)C(F)(F)F
  • InChi: 1S/C19H15F3N2O3/c1-26-15-6-12-14(8-16(15)27-2)23-17(25)7-11-10-5-9(19(20,21)22)3-4-13(10)24-18(11)12/h3-6,8,24H,7H2,1-2H3,(H,23,25)
  • InChiKey: RVTOIQOTZUKDTE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • Paullone Analog 9
  • NSC702378
  • NCI60_036667

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin B2 Starlite/ChEMBL References
Homo sapiens cyclin B3 Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 5, regulatory subunit 1 (p35) References
Homo sapiens glycogen synthase kinase 3 beta Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 Starlite/ChEMBL References
Homo sapiens cyclin B1 References
Homo sapiens cyclin-dependent kinase 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
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
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium knowlesi Cell division control protein 2 homolog 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 vivax protein kinase Crk2 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 braziliensis CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Onchocerca volvulus 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
Trypanosoma brucei protein kinase, putative 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 multilocularis cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Candida albicans hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_134175 All targets in OG5_134175
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_134175 All targets in OG5_134175
Onchocerca volvulus 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
Leishmania infantum cell division related protein kinase 2,cdc2-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
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia G2/mitotic-specific cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Neospora caninum CMGC kinase, CDK family TgPK2, putative 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
Trypanosoma cruzi CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense cdc2-related kinase 1, putative 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
Echinococcus granulosus cyclin dependent kinase 1 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
Schistosoma mansoni cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
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 glycogen synthase kinase 3 beta Get druggable targets OG5_126888 All targets in OG5_126888
Cryptosporidium parvum hypothetical protein 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
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis 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
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans Serine/threonine protein kinase required for induction of IME2 by Ime1p 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
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis mitotic cyclin-CYC2 Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative Get druggable targets OG5_126649 All targets in OG5_126649
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cell division protein kinase 2,cdc2-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
Brugia malayi hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Leishmania braziliensis 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_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
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 falciparum protein kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica protein kinase, putative 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
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 brucei mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium hominis cdc2-like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni cyclin-dependent kinase 5 activator Get druggable targets OG5_133447 All targets in OG5_133447
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, 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
Echinococcus multilocularis protein kinase shaggy 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
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 Get druggable targets OG5_133447 All targets in OG5_133447
Babesia bovis protein kinase domain containing 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
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative Get druggable targets OG5_126888 All targets in OG5_126888
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum IPR002155,Thiolase,domain-containing Get druggable targets OG5_134175 All targets in OG5_134175
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclin B, 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
Echinococcus granulosus cyclin dependent kinase 5 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
Plasmodium falciparum glycogen synthase kinase 3 Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus granulosus cyclin dependent kinase 5 activator 1 Get druggable targets OG5_133447 All targets in OG5_133447
Leishmania major cell division related protein kinase 2,cdc2-related kinase 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 donovani cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 Get druggable targets OG5_126888 All targets in OG5_126888
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_126888 All targets in OG5_126888
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum Cyclin-dependent kinase 5 activator 2 precursor, putative Get druggable targets OG5_133447 All targets in OG5_133447
Echinococcus granulosus protein kinase shaggy 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
Theileria parva glycogen synthase kinase, putative 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
Trichomonas vaginalis CMGC family 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
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
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
Loa Loa (eye worm) hypothetical protein 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
Brugia malayi cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans likely B-type cyclin similar to S. cerevisiae CLB4 (YLR210W) and CLB3 (YDL155W) involved in G1/S transition Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis G2:mitotic specific cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
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
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus G2:mitotic specific cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
Trypanosoma cruzi glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_134175 All targets in OG5_134175
Trypanosoma cruzi cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum 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
Brugia malayi intracellular kinase Get druggable targets OG5_126888 All targets in OG5_126888
Neospora caninum hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium vivax glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania braziliensis cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis glycogen synthase kinase 3 beta Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Brugia malayi Protein kinase domain containing protein 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 brucei cdc2-related kinase 1 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 CDK 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
Trypanosoma congolense mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania mexicana 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
Candida albicans second truncated form of RIM11 Serine/threonine 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
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin dependent kinase 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
Trypanosoma cruzi cdc2-related kinase 1 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
Loa Loa (eye worm) hypothetical protein 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
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 5 260 aa 307 aa 28.3 %
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
Trypanosoma cruzi cyclin, putative 0.0124 0.1412 0.0475
Echinococcus multilocularis cyclin dependent kinase 0.0105 0.0984 0.0897
Entamoeba histolytica cell division protein kinase 2, putative 0.0105 0.0984 0.6748
Plasmodium vivax protein kinase Crk2 0.0105 0.0984 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0105 0.0984 0.6748
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0105 0.0984 0.0984
Giardia lamblia Kinase, CMGC CDK 0.0105 0.0984 0.6748
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0515 1 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0515 1 1
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0192 0.2892 0.2116
Entamoeba histolytica cyclin, putative 0.0124 0.1412 1
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0309 0.547 0.5426
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0199 0.3045 0.2979
Echinococcus multilocularis cyclin dependent kinase 1 0.0105 0.0984 0.0897
Giardia lamblia G2/mitotic-specific cyclin B 0.0124 0.1412 1
Trichomonas vaginalis CMGC family protein kinase 0.0105 0.0984 0.6748
Trichomonas vaginalis cyclins, putative 0.0124 0.1412 1
Trichomonas vaginalis cyclin A, putative 0.0124 0.1412 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0199 0.3045 0.2286
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0515 1 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0124 0.1412 0.0475
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0309 0.547 0.5426
Trichomonas vaginalis cyclins, putative 0.0124 0.1412 1
Leishmania major cyclin 0.0124 0.1412 0.0475
Brugia malayi hypothetical protein 0.0148 0.1932 0.1052
Loa Loa (eye worm) hypothetical protein 0.0148 0.1932 0.1932
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0199 0.3045 0.2979
Trichomonas vaginalis cyclin B, putative 0.0124 0.1412 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0124 0.1412 0.0475
Giardia lamblia Kinase, CMGC CDK 0.0105 0.0984 0.6748
Schistosoma mansoni cyclin B3 0.0199 0.3045 0.2979
Loa Loa (eye worm) cyclin domain-containing protein 0.0199 0.3045 0.3045
Echinococcus multilocularis cyclin dependent kinase 1 0.0105 0.0984 0.0897
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0515 1 1
Toxoplasma gondii fructose-bisphospatase II 0.0515 1 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0124 0.1412 0.0475
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0105 0.0984 0.0897
Trypanosoma cruzi cyclin 6, putative 0.0124 0.1412 0.0475
Schistosoma mansoni serine/threonine protein kinase 0.0105 0.0984 0.0897
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0192 0.2892 0.2116
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0105 0.0984 0.0984
Loa Loa (eye worm) hypothetical protein 0.0148 0.1932 0.1932
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0192 0.2892 0.2116
Leishmania major 0.0515 1 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0947 0.0947
Trichomonas vaginalis cyclin B, putative 0.0124 0.1412 1
Loa Loa (eye worm) hypothetical protein 0.0309 0.547 0.547
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0515 1 1
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0192 0.2892 0.2116
Echinococcus granulosus cyclin dependent kinase 5 0.0105 0.0984 0.0897
Loa Loa (eye worm) hypothetical protein 0.0124 0.1412 0.1412
Schistosoma mansoni serine/threonine protein kinase 0.0105 0.0984 0.0897
Echinococcus granulosus cyclin B 0.0124 0.1412 0.1329
Onchocerca volvulus 0.0124 0.1412 0.5
Loa Loa (eye worm) hypothetical protein 0.0124 0.1412 0.1412
Echinococcus granulosus cyclin dependent kinase 0.0105 0.0984 0.0897
Trichomonas vaginalis cyclin B, putative 0.0124 0.1412 1
Trypanosoma cruzi cyclin, putative 0.0124 0.1412 0.0475
Toxoplasma gondii fructose-bisphospatase I 0.0192 0.2892 0.2116
Plasmodium falciparum protein kinase 5 0.0105 0.0984 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0105 0.0984 0.0897
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0105 0.0984 0.0984
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0515 1 1
Trichomonas vaginalis cyclins, putative 0.0124 0.1412 1
Schistosoma mansoni cyclin B 0.0124 0.1412 0.1329
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.0309 0.547 0.5426
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0124 0.1412 0.0475
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0515 1 1
Trichomonas vaginalis cyclins, putative 0.0124 0.1412 1
Trichomonas vaginalis cyclins, putative 0.0075 0.0341 0.1865
Entamoeba histolytica cell division protein kinase 2, putative 0.0105 0.0984 0.6748
Echinococcus granulosus cyclin dependent kinase 1 0.0105 0.0984 0.0897
Trichomonas vaginalis cyclin B, putative 0.0124 0.1412 1
Trypanosoma brucei mitotic cyclin 6 0.0124 0.1412 0.0475
Trichomonas vaginalis CMGC family protein kinase 0.0105 0.0984 0.6748
Echinococcus multilocularis cyclin B 0.0124 0.1412 0.1329

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 97.7 % Inhibition of mitochondrial malate dehydrogenase assessed as residual enzyme activity at 10 uM by spectrophotometry ChEMBL. 19906467
GI50 (functional) = -5.7 The logarithmic molar concentration inhibiting 50% net cell growth was measured on HCT-116(M) colon cancer cell lines. ChEMBL. 10425100
GI50 (functional) -5.587 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.536 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.472 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.464 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.44 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.393 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.338 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.208 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.005 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.882 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 6.367 Inhibitory activity against cyclin-dependent kinase 5/p25 ChEMBL. 14695817
IC50 (binding) = 6.553 Inhibitory activity against cyclin dependent kinase 1-cyclinB extracted from M phase starfish (Marthasterias glacialis) oocytes ChEMBL. 14695817
IC50 (binding) = 7.125 Inhibitory activity against glycogen synthase kinase-3 beta purified from insect sf9 cells ChEMBL. 14695817
IC50 (binding) = 0.075 microM Inhibition of GSK3-beta ChEMBL. 19906467
IC50 (binding) = 0.28 microM Inhibition of CDK1/cyclin B ChEMBL. 19906467
IC50 (binding) = 0.28 uM In vitro inhibitory activity against cyclin-dependent kinase 1-cyclin B (Cyclin-Dependent Kinase) harvested from starfish oocytes. ChEMBL. 10425100
IC50 (binding) = 0.28 uM In vitro inhibitory activity against cyclin-dependent kinase 1-cyclin B (Cyclin-Dependent Kinase) harvested from starfish oocytes. ChEMBL. 10425100
Log GI50 (functional) = -5.7 The logarithmic molar concentration inhibiting 50% net cell growth was measured on HCT-116(M) colon cancer cell lines. ChEMBL. 10425100
Log GI50 (functional) = -5.3 Antitumor activity of the compound was reported for each out of 60 human tumor cell lines (experiment 2) ChEMBL. 10425100
Log GI50 (functional) = -5.2 Antitumor activity of the compound was reported for each out of 60 human tumor cell lines (experiment 1) ChEMBL. 10425100
Log IC50 (binding) = 6.367 Inhibitory activity against cyclin-dependent kinase 5/p25 ChEMBL. 14695817
Log IC50 (binding) = 6.553 Inhibitory activity against cyclin dependent kinase 1-cyclinB extracted from M phase starfish (Marthasterias glacialis) oocytes ChEMBL. 14695817
Log IC50 (binding) = 7.12499999999999 Inhibitory activity against glycogen synthase kinase-3 beta purified from insect sf9 cells ChEMBL. 14695817

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

3 literature references were collected for this gene.

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