Detailed information for compound 161813

Basic information

Technical information
  • TDR Targets ID: 161813
  • Name: 9-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]ben zazepin-6-one
  • MW: 278.305 | Formula: C17H14N2O2
  • H donors: 2 H acceptors: 1 LogP: 2.53 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c1CC(=O)Nc3c(c1[nH]2)cccc3
  • InChi: 1S/C17H14N2O2/c1-21-10-6-7-15-12(8-10)13-9-16(20)18-14-5-3-2-4-11(14)17(13)19-15/h2-8,19H,9H2,1H3,(H,18,20)
  • InChiKey: XOAKRYSSJJAKLL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 9-Methoxy-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
  • AIDS-147022
  • AIDS147022
  • NSC675994
  • Paullone Analog 40
  • NCI60_026837

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin B1 References
Homo sapiens cyclin-dependent kinase 3 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 5 Starlite/ChEMBL References
Homo sapiens cyclin B3 Starlite/ChEMBL References
Homo sapiens cyclin B2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium falciparum glycogen synthase kinase 3 Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania infantum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
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 granulosus cyclin B 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 japonicum ko:K02087 cyclin-dependent kinase 1, 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
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclins, 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
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani CYC2-like cyclin, 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium berghei glycogen synthase kinase 3, putative 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
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_134175 All targets in OG5_134175
Loa Loa (eye worm) CMGC/GSK protein kinase 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 granulosus 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 dependent 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
Trypanosoma brucei cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cyclin 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
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
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
Entamoeba histolytica protein kinase domain containing protein 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
Candida albicans hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum ko:K08822 glycogen synthase kinase 3 alpha, 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
Schistosoma mansoni cyclin-dependent kinase 5 activator Get druggable targets OG5_133447 All targets in OG5_133447
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani glycogen synthase kinase 3, putative 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
Trypanosoma cruzi cdc2-related kinase 3 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
Theileria parva glycogen synthase kinase, 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
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni cyclin B 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
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 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
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
Cryptosporidium parvum hypothetical protein 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
Babesia bovis protein kinase domain containing protein 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
Toxoplasma gondii cell-cycle-associated protein kinase CDK, 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
Echinococcus multilocularis cyclin B 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
Leishmania mexicana cell division protein kinase 2,cdc2-related 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
Leishmania major cell division protein kinase 2,cdc2-related kinase 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
Schistosoma mansoni cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
Candida albicans second truncated form of RIM11 Serine/threonine protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Loa Loa (eye worm) CMGC/GSK protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
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
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
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana cyclin 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
Leishmania braziliensis 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
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Neospora caninum hypothetical protein 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
Echinococcus granulosus protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma brucei mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium berghei cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cyclin, putative 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) hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Trichomonas vaginalis cyclin B, putative 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
Schistosoma japonicum IPR002155,Thiolase,domain-containing Get druggable targets OG5_134175 All targets in OG5_134175
Cryptosporidium hominis cdc2-like 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
Echinococcus multilocularis cyclin dependent 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 infantum cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Theileria parva cell division control protein 2 related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans Serine/threonine protein kinase required for induction of IME2 by Ime1p 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 Cyclin-dependent kinase 5 activator 2 precursor, putative Get druggable targets OG5_133447 All targets in OG5_133447
Leishmania mexicana protein kinase, putative,glycogen synthase kinase, putative 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
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, 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
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma congolense mitotic cyclin 6 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
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cyclin 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
Echinococcus multilocularis protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus granulosus glycogen synthase kinase 3 beta Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania infantum CYC2-like cyclin, putative,cyclin 6, putative 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 major CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein 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
Trypanosoma brucei 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
Schistosoma japonicum hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum glycogen synthase kinase 3 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
Plasmodium falciparum protein kinase 5 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 braziliensis cell division protein kinase 2,cdc2-related 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 activator 1 Get druggable targets OG5_133447 All targets in OG5_133447
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 Get druggable targets OG5_133447 All targets in OG5_133447
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
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
Brugia malayi intracellular 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
Entamoeba histolytica cell division protein kinase 2, putative 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
Trichomonas vaginalis cyclins, 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
Toxoplasma gondii cell-cycle-associated protein kinase GSK, 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
Trichomonas vaginalis cyclin B, 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
Trypanosoma cruzi cyclin 6, 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
Trypanosoma cruzi glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 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
Leishmania braziliensis CYC2-like cyclin, putative,cyclin 6, 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium vivax 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
Echinococcus granulosus G2:mitotic specific cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
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
Echinococcus granulosus glutamate receptor 2 0.0089 0.1203 0.1203
Giardia lamblia Hypothetical protein 0.0064 0.0206 0.0792
Schistosoma mansoni glutamate receptor kainate 0.0167 0.4329 0.4329
Trichomonas vaginalis CMGC family protein kinase 0.0105 0.1826 0.7006
Brugia malayi Cyclin, N-terminal domain containing protein 0.0124 0.2606 0.4668
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0105 0.1826 0.1826
Echinococcus multilocularis cyclin B3 1 0.0064 0.0206 0.0206
Schistosoma mansoni cyclin B 0.0124 0.2606 0.2606
Echinococcus granulosus excitatory amino acid transporter 2 0.0126 0.2658 0.2658
Echinococcus granulosus cyclins 0.0064 0.0206 0.0206
Trichomonas vaginalis cyclins, putative 0.0064 0.0206 0.0792
Trypanosoma cruzi cyclin, putative 0.0124 0.2606 1
Echinococcus multilocularis neutral amino acid transporter A 0.0126 0.2658 0.2658
Giardia lamblia Cyclin A 0.0064 0.0206 0.0792
Echinococcus multilocularis excitatory amino acid transporter 2 0.0126 0.2658 0.2658
Trypanosoma cruzi CYC2-like cyclin, putative 0.0124 0.2606 1
Echinococcus granulosus excitatory amino acid transporter 3 0.0126 0.2658 0.2658
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.012 0.2439 0.2439
Echinococcus multilocularis cyclin dependent kinase 1 0.0105 0.1826 0.1826
Echinococcus multilocularis Excitatory amino acid transporter 0.0126 0.2658 0.2658
Schistosoma mansoni serine/threonine protein kinase 0.0105 0.1826 0.1826
Echinococcus multilocularis cyclins 0.0064 0.0206 0.0206
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0126 0.2658 0.2658
Echinococcus granulosus cyclins 0.0064 0.0206 0.0206
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0105 0.1826 1
Trichomonas vaginalis cyclin B, putative 0.0124 0.2606 1
Brugia malayi hypothetical protein 0.0148 0.3554 0.6366
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0182 0.4898 0.4898
Trichomonas vaginalis cyclins, putative 0.0124 0.2606 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0105 0.1826 0.1826
Giardia lamblia Kinase, CMGC CDK 0.0105 0.1826 0.7006
Echinococcus granulosus cyclin b3 0.0064 0.0206 0.0206
Echinococcus granulosus neutral amino acid transporter A 0.0126 0.2658 0.2658
Echinococcus multilocularis Excitatory amino acid transporter 0.0126 0.2658 0.2658
Trichomonas vaginalis cyclin D, putative 0.0064 0.0206 0.0792
Entamoeba histolytica cell division protein kinase 2, putative 0.0105 0.1826 0.7006
Loa Loa (eye worm) hypothetical protein 0.006 0.0033 0.0033
Trichomonas vaginalis cyclins, putative 0.0075 0.0654 0.2509
Onchocerca volvulus 0.0124 0.2606 0.9802
Echinococcus multilocularis neutral amino acid transporter A 0.0126 0.2658 0.2658
Echinococcus multilocularis cyclins 0.0064 0.0206 0.0206
Trichomonas vaginalis cyclin B, putative 0.0124 0.2606 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0199 0.5582 0.5582
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0199 0.5582 0.5582
Echinococcus granulosus cyclin B 0.0124 0.2606 0.2606
Echinococcus granulosus glutamate receptor 2 0.0061 0.0093 0.0093
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0309 1 1
Echinococcus multilocularis NMDA receptor 0.012 0.2439 0.2439
Trichomonas vaginalis cyclin D, putative 0.0064 0.0206 0.0792
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0182 0.4898 0.4898
Brugia malayi Glutamate receptor 1 precursor 0.0075 0.0634 0.1135
Echinococcus multilocularis cyclins 0.0064 0.0206 0.0206
Entamoeba histolytica cyclin family protein 0.0064 0.0206 0.0792
Echinococcus multilocularis cyclin b3 0.0064 0.0206 0.0206
Trichomonas vaginalis cyclin B, putative 0.0124 0.2606 1
Schistosoma mansoni glutamate receptor kainate 0.0075 0.0634 0.0634
Trichomonas vaginalis cyclin B, putative 0.0064 0.0206 0.0792
Echinococcus granulosus cyclin B3 1 0.0064 0.0206 0.0206
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0126 0.2658 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0089 0.1203 0.1203
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0105 0.1826 0.7006
Echinococcus granulosus sodium:dicarboxylate symporter 0.0126 0.2658 0.2658
Echinococcus multilocularis cyclins 0.0064 0.0206 0.0206
Trypanosoma cruzi cyclin 6, putative 0.0124 0.2606 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.1759 0.1759
Trypanosoma cruzi cdc2-related kinase 3 0.0105 0.1826 0.7006
Echinococcus granulosus Excitatory amino acid transporter 0.0126 0.2658 0.2658
Echinococcus multilocularis cyclins 0.0064 0.0206 0.0206
Chlamydia trachomatis glutamate symporter 0.0126 0.2658 0.5
Trypanosoma cruzi cdc2-related kinase 1 0.0105 0.1826 0.7006
Echinococcus multilocularis cyclins 0.0064 0.0206 0.0206
Trichomonas vaginalis cyclins, putative 0.0124 0.2606 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0105 0.1826 0.7006
Loa Loa (eye worm) hypothetical protein 0.0148 0.3554 0.3554
Echinococcus multilocularis neutral amino acid transporter A 0.0126 0.2658 0.2658
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0126 0.2658 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0206 0.0792
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0199 0.5582 0.5582
Echinococcus granulosus cyclins 0.0064 0.0206 0.0206
Brugia malayi Excitatory amino acid transporter 0.0126 0.2658 0.4762
Giardia lamblia Kinase, CMGC CDK 0.0105 0.1826 0.7006
Brugia malayi cell division control protein 2 homolog 0.0105 0.1826 0.327
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0105 0.1826 0.1826
Brugia malayi Cyclin, N-terminal domain containing protein 0.0199 0.5582 1
Schistosoma mansoni ATP-binding cassette transporter 0.0075 0.0634 0.0634
Loa Loa (eye worm) excitatory amino acid transporter 0.0126 0.2658 0.2658
Plasmodium vivax protein kinase Crk2 0.0105 0.1826 1
Trichomonas vaginalis cyclin A, putative 0.0124 0.2606 1
Plasmodium falciparum cyclin 0.0064 0.0206 0.113
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0182 0.4898 0.4898
Echinococcus granulosus neutral amino acid transporter 0.0126 0.2658 0.2658
Loa Loa (eye worm) hypothetical protein 0.0309 1 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0124 0.2606 1
Echinococcus multilocularis excitatory amino acid transporter 3 0.0126 0.2658 0.2658
Echinococcus granulosus excitatory amino acid transporter 2 0.0126 0.2658 0.2658
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0182 0.4898 0.4898
Trichomonas vaginalis cyclin B3, putative 0.0064 0.0206 0.0792
Echinococcus multilocularis cyclin B 0.0124 0.2606 0.2606
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0126 0.2658 0.2658
Entamoeba histolytica cyclin, putative 0.0124 0.2606 1
Trypanosoma cruzi cdc2-related kinase 3 0.0105 0.1826 0.7006
Loa Loa (eye worm) hypothetical protein 0.0124 0.2606 0.2606
Loa Loa (eye worm) glutamate receptor 1 0.0075 0.0634 0.0634
Trypanosoma cruzi cdc2-related kinase 1 0.0105 0.1826 0.7006
Schistosoma mansoni cyclins 0.0064 0.0206 0.0206
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0089 0.1203 0.1203
Echinococcus granulosus cyclin dependent kinase 1 0.0105 0.1826 0.1826
Brugia malayi Cyclin, N-terminal domain containing protein 0.0124 0.2606 0.4668
Echinococcus granulosus cyclins 0.0064 0.0206 0.0206
Echinococcus granulosus neutral amino acid transporter A 0.0126 0.2658 0.2658
Echinococcus granulosus cyclin dependent kinase 5 0.0105 0.1826 0.1826
Echinococcus granulosus cyclin dependent kinase 0.0105 0.1826 0.1826
Echinococcus granulosus glutamate NMDA receptor subunit 0.0075 0.0634 0.0634
Echinococcus multilocularis cyclins 0.0064 0.0206 0.0206
Giardia lamblia G2/mitotic-specific cyclin B 0.0124 0.2606 1
Trichomonas vaginalis CMGC family protein kinase 0.0105 0.1826 0.7006
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0309 1 1
Echinococcus granulosus Excitatory amino acid transporter 0.0126 0.2658 0.2658
Loa Loa (eye worm) glutamate receptor 2 0.0075 0.0634 0.0634
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0126 0.2658 0.2658
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.012 0.2439 0.2439
Echinococcus granulosus glutamate receptor ionotropic kainate 0.012 0.2439 0.2439
Trypanosoma brucei cdc2-related kinase 3 0.0105 0.1826 0.7006
Schistosoma mansoni glutamate receptor NMDA 0.0075 0.0634 0.0634
Loa Loa (eye worm) hypothetical protein 0.0124 0.2606 0.2606
Trichomonas vaginalis CMGC family protein kinase 0.0105 0.1826 0.7006
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.012 0.2439 0.2439
Trichomonas vaginalis cyclins, putative 0.0124 0.2606 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0182 0.4898 0.4898
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0126 0.2658 1
Schistosoma mansoni glutamate receptor AMPA 0.0075 0.0634 0.0634
Echinococcus granulosus cyclins 0.0064 0.0206 0.0206
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0105 0.1826 0.1826
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0182 0.4898 0.4898
Echinococcus multilocularis glutamate receptor 2 0.0075 0.0634 0.0634
Trichomonas vaginalis cyclins, putative 0.0124 0.2606 1
Brugia malayi Protein kinase domain containing protein 0.0105 0.1826 0.327
Brugia malayi Glutamate receptor 2 precursor 0.0075 0.0634 0.1135
Schistosoma mansoni cyclin B3 0.0199 0.5582 0.5582
Echinococcus multilocularis cyclin dependent kinase 5 0.0105 0.1826 0.1826
Echinococcus multilocularis cyclin dependent kinase 1 0.0105 0.1826 0.1826
Echinococcus multilocularis excitatory amino acid transporter 2 0.0126 0.2658 0.2658
Trypanosoma brucei cdc2-related kinase 1 0.0105 0.1826 0.7006
Trypanosoma cruzi cyclin, putative 0.0124 0.2606 1
Schistosoma mansoni glutamate receptor kainate 0.0167 0.4329 0.4329
Entamoeba histolytica cyclin family protein 0.0064 0.0206 0.0792
Trypanosoma brucei mitotic cyclin 6 0.0124 0.2606 1
Trichomonas vaginalis cyclin B, putative 0.0124 0.2606 1
Echinococcus multilocularis glutamate receptor 2 0.0089 0.1203 0.1203
Echinococcus multilocularis glutamate receptor 2 0.0061 0.0093 0.0093
Schistosoma mansoni serine/threonine protein kinase 0.0105 0.1826 0.1826
Loa Loa (eye worm) hypothetical protein 0.0148 0.3554 0.3554
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0105 0.1826 0.7006
Echinococcus multilocularis cyclin dependent kinase 0.0105 0.1826 0.1826
Leishmania major cyclin 0.0124 0.2606 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0089 0.1203 0.1203
Schistosoma mansoni glutamate receptor AMPA 0.0075 0.0634 0.0634
Plasmodium falciparum protein kinase 5 0.0105 0.1826 1
Entamoeba histolytica cyclin, putative 0.0064 0.0206 0.0792
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0075 0.0634 0.0634

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.058 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) -4.735 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) -4.696 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.684 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) -4.625 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) -4.616 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) = -4.6 The logarithmic molar concentration inhibiting 50% net cell growth was measured on HCT-116(M) colon cancer cell lines. ChEMBL. 10425100
GI50 (functional) -4.594 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) -4.413 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
GI50 (functional) -4.387 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) -4.363 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
IC50 (binding) = 5.658 Inhibitory activity against glycogen synthase kinase-3 beta purified from insect sf9 cells ChEMBL. 14695817
IC50 (binding) = 5.678 Inhibitory activity against cyclin-dependent kinase 5/p25 ChEMBL. 14695817
IC50 (binding) = 6.046 Inhibitory activity against cyclin dependent kinase 1-cyclinB extracted from M phase starfish (Marthasterias glacialis) oocytes ChEMBL. 14695817
IC50 (binding) = 0.9 uM In vitro inhibitory activity against cyclin-dependent kinase 1-cyclin B (Cyclin-Dependent Kinase) harvested from starfish oocytes. ChEMBL. 10425100
IC50 (binding) = 0.9 uM In vitro inhibitory activity against cyclin-dependent kinase 1-cyclin B (Cyclin-Dependent Kinase) harvested from starfish oocytes. ChEMBL. 10425100
Log GI50 (functional) = -4.6 The logarithmic molar concentration inhibiting 50% net cell growth was measured on HCT-116(M) colon cancer cell lines. ChEMBL. 10425100
Log GI50 (functional) = -4.6 Antitumor activity for each out of 60 human tumor cell lines. ChEMBL. 10425100
Log IC50 (binding) = 5.658 Inhibitory activity against glycogen synthase kinase-3 beta purified from insect sf9 cells ChEMBL. 14695817
Log IC50 (binding) = 5.678 Inhibitory activity against cyclin-dependent kinase 5/p25 ChEMBL. 14695817
Log IC50 (binding) = 6.046 Inhibitory activity against cyclin dependent kinase 1-cyclinB extracted from M phase starfish (Marthasterias glacialis) oocytes 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

2 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.