Detailed information for compound 328910

Basic information

Technical information
  • TDR Targets ID: 328910
  • Name: N-(4-nitrophenyl)-4-pyrazolo[5,1-f]pyridazin- 3-ylpyrimidin-2-amine
  • MW: 333.304 | Formula: C16H11N7O2
  • H donors: 1 H acceptors: 6 LogP: 2.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc(cc1)Nc1nccc(n1)c1cnn2c1cccn2
  • InChi: 1S/C16H11N7O2/c24-23(25)12-5-3-11(4-6-12)20-16-17-9-7-14(21-16)13-10-19-22-15(13)2-1-8-18-22/h1-10H,(H,17,20,21)
  • InChiKey: RVBOIHXTZQGXRV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-nitrophenyl)-4-pyrazolo[5,1-f]pyridazin-3-yl-pyrimidin-2-amine
  • N-(4-nitrophenyl)-4-(3-pyrazolo[5,1-f]pyridazinyl)-2-pyrimidinamine
  • (4-nitrophenyl)-(4-pyrazolo[5,1-f]pyridazin-3-ylpyrimidin-2-yl)amine
  • pyrazolo[1,5-b]pyridazine deriv. 21

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin-dependent kinase 4 Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 Starlite/ChEMBL 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 mexicana protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium berghei glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium berghei cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/GSK protein kinase 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 cyclin dependent 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
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_126888 All targets in OG5_126888
Theileria parva glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma cruzi cdc2-related kinase 3 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
Brugia malayi cell division control protein 2 homolog 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
Trichomonas vaginalis CMGC family protein 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
Cryptosporidium hominis cdc2-like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/GSK protein kinase 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
Trypanosoma cruzi cdc2-related kinase 3 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
Trichomonas vaginalis CMGC family protein kinase 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
Trypanosoma brucei cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cell division protein kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cell division protein kinase 2, putative 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 CMGC family protein kinase 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
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein 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
Plasmodium knowlesi Cell division control protein 2 homolog 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
Neospora caninum hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Leishmania infantum cell division protein kinase 2,cdc2-related 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
Trypanosoma cruzi glycogen synthase kinase 3, putative Get druggable targets OG5_126888 All targets in OG5_126888
Candida albicans second truncated form of RIM11 Serine/threonine protein kinase Get druggable targets OG5_126888 All targets in OG5_126888
Trypanosoma congolense cdc2-related kinase 1, putative 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
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus protein kinase shaggy 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
Loa Loa (eye worm) CMGC/CDK/CDK5 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
Plasmodium vivax protein kinase Crk2 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
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
Echinococcus granulosus cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 Get druggable targets OG5_126888 All targets in OG5_126888
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Candida albicans Serine/threonine protein kinase required for induction of IME2 by Ime1p Get druggable targets OG5_126888 All targets in OG5_126888
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative 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
Schistosoma mansoni serine/threonine protein kinase 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
Leishmania donovani cdc2-related kinase 3, putative 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
Trichomonas vaginalis CMGC family 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
Echinococcus granulosus glycogen synthase kinase 3 beta 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
Leishmania infantum glycogen synthase kinase 3 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
Trypanosoma brucei gambiense protein kinase, putative,glycogen synthase kinase, 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
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
Leishmania major cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis protein kinase, putative,glycogen synthase kinase, putative Get druggable targets OG5_126888 All targets in OG5_126888
Plasmodium knowlesi 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
Giardia lamblia Kinase, CMGC GSK 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
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
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_126888 All targets in OG5_126888
Echinococcus multilocularis protein kinase shaggy Get druggable targets OG5_126888 All targets in OG5_126888
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 cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_126888 All targets in OG5_126888
Onchocerca volvulus 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
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) Get druggable targets OG5_126888 All targets in OG5_126888
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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi intracellular kinase 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
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
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 4 303 aa 312 aa 29.8 %
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
Loa Loa (eye worm) hypothetical protein 0.0797 0.8512 0.8512
Onchocerca volvulus 0.0142 0.1033 0.2137
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0272 0.252 0.2506
Loa Loa (eye worm) hypothetical protein 0.0446 0.4512 0.4512
Loa Loa (eye worm) hypothetical protein 0.0142 0.1033 0.1033
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0072 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 0.1033 0.1033
Schistosoma mansoni nAChR subunit 0.0272 0.252 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0272 0.252 1
Echinococcus multilocularis nAChR subunit 0.0272 0.252 1
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.013 0.0899 0.0881
Schistosoma mansoni lozenge 0.0056 0.0051 0.0127
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.013 0.0899 0.0881
Onchocerca volvulus 0.0272 0.252 0.5499
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.013 0.0899 0.3517
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0059 0.0087 0.0087
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0272 0.252 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0072 0.021
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Brugia malayi Cation transporter family protein 0.0272 0.252 0.2506
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0272 0.252 0.252
Loa Loa (eye worm) hypothetical protein 0.0142 0.1033 0.1033
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.013 0.0899 0.0899
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Giardia lamblia Kinase, CMGC GSK 0.0059 0.0087 0.0189
Brugia malayi Cation transporter family protein 0.0272 0.252 0.2506
Schistosoma mansoni nAChR subunit 0.0272 0.252 1
Echinococcus granulosus glycine receptor subunit beta 0.0272 0.252 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0272 0.252 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0142 0.1033 0.1015
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.013 0.0899 0.0881
Loa Loa (eye worm) hypothetical protein 0.0446 0.4512 0.4512
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Loa Loa (eye worm) acetylcholine receptor protein 0.013 0.0899 0.0899
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0272 0.252 0.2506
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0272 0.252 0.2506
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.013 0.0899 0.3517
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0272 0.252 1
Loa Loa (eye worm) GABA receptor subunit 0.0142 0.1033 0.1033
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.013 0.0899 0.0881
Loa Loa (eye worm) ACC-1 protein 0.0272 0.252 0.252
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.013 0.0899 0.3517
Brugia malayi hypothetical protein 0.013 0.0899 0.0881
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0272 0.252 1
Leishmania major macrophage migration inhibitory factor-like protein 0.0366 0.3592 1
Brugia malayi hypothetical protein 0.013 0.0899 0.0881
Onchocerca volvulus 0.013 0.0899 0.1835
Echinococcus multilocularis protein kinase shaggy 0.0059 0.0087 0.0271
Onchocerca volvulus 0.0446 0.4512 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.013 0.0899 0.3517
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Loa Loa (eye worm) hypothetical protein 0.032 0.3064 0.3064
Schistosoma mansoni nAChR subunit 0.0272 0.252 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0272 0.252 0.2506
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0272 0.252 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Brugia malayi hypothetical protein 0.013 0.0899 0.0881
Onchocerca volvulus 0.0272 0.252 0.5499
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0072 0.5
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Brugia malayi excitatory GABA receptor EXP-1A 0.0272 0.252 0.2506
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0156 0.1195 0.1195
Loa Loa (eye worm) hypothetical protein 0.0142 0.1033 0.1033
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0059 0.0087 0.0271
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0272 0.252 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Echinococcus multilocularis Protein lozenge 0.0056 0.0051 0.0127
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0366 0.3592 0.6361
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0156 0.1195 0.1195
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.0072 0.021
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0272 0.252 1
Onchocerca volvulus 0.0272 0.252 0.5499
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0272 0.252 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0272 0.252 0.2506
Entamoeba histolytica protein kinase, putative 0.0059 0.0087 0.0189
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0272 0.252 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0142 0.1033 0.4052
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0272 0.252 0.2506
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0116 0.0737 0.0737
Entamoeba histolytica protein kinase domain containing protein 0.0059 0.0087 0.0189
Echinococcus granulosus glycine receptor subunit alpha 1 0.0272 0.252 1
Brugia malayi Receptor family ligand binding region containing protein 0.0116 0.0737 0.0719
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0272 0.252 0.2506
Brugia malayi hypothetical protein 0.0123 0.0813 0.0795
Schistosoma mansoni nAChR subunit 0.0272 0.252 1
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Loa Loa (eye worm) hypothetical protein 0.0142 0.1033 0.1033
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0272 0.252 0.252
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0059 0.0087 0.0189
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0272 0.252 0.2506
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0272 0.252 0.252
Plasmodium vivax tryptophan-rich antigen (Pv-fam-a) 0.0545 0.5637 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0272 0.252 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0272 0.252 0.2506
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.013 0.0899 0.3517
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0272 0.252 0.2506
Echinococcus granulosus nAChR subunit 0.0142 0.1033 0.4052
Entamoeba histolytica hypothetical protein 0.0142 0.1033 0.2836
Trichomonas vaginalis conserved hypothetical protein 0.0366 0.3592 1
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.0047 0.0111
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Schistosoma mansoni nAChR subunit 0.0272 0.252 1
Loa Loa (eye worm) LGC-31 protein 0.0272 0.252 0.252
Loa Loa (eye worm) hypothetical protein 0.0927 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.0072 0.5
Brugia malayi Cation transporter family protein 0.0272 0.252 0.2506
Onchocerca volvulus 0.0142 0.1033 0.2137
Schistosoma mansoni neurotransmitter gated ion channel 0.013 0.0899 0.3517
Echinococcus multilocularis nAChR subunit 0.0142 0.1033 0.4052
Loa Loa (eye worm) runx1 0.0056 0.0051 0.0051
Leishmania major macrophage migration inhibitory factor-like protein 0.0366 0.3592 1
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0366 0.3592 0.3592
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Onchocerca volvulus 0.0272 0.252 0.5499
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0072 0.021
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0059 0.0087 0.0087
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0272 0.252 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0272 0.252 0.2506
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.013 0.0899 0.0881
Schistosoma mansoni nAChR subunit 0.0272 0.252 1
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0366 0.3592 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Loa Loa (eye worm) hypothetical protein 0.0142 0.1033 0.1033
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0272 0.252 1
Schistosoma mansoni acetylcholine receptor-related 0.013 0.0899 0.3517
Onchocerca volvulus Putative nachr subunit 0.0272 0.252 0.5499
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0087 0.0189
Schistosoma mansoni neurotransmitter gated ion channel 0.013 0.0899 0.3517
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.013 0.0899 0.0899
Plasmodium vivax glycogen synthase kinase 3, putative 0.0059 0.0087 0.0121
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Schistosoma mansoni nAChR subunit 0.013 0.0899 0.3517
Schistosoma mansoni nAChR subunit 0.0272 0.252 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0272 0.252 1
Echinococcus granulosus protein kinase shaggy 0.0059 0.0087 0.0271
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0272 0.252 0.252
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0272 0.252 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0272 0.252 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0072 0.0053
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.0047 0.0111
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0272 0.252 1
Plasmodium falciparum macrophage migration inhibitory factor 0.0366 0.3592 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0272 0.252 0.2506
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0059 0.0087 0.0271
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0087 0.0189
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.0072 0.0147
Echinococcus granulosus glycine receptor subunit beta 0.0272 0.252 1
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0366 0.3592 1
Giardia lamblia Macrophage migration inhibitory factor 0.0366 0.3592 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0142 0.1033 0.1015
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0142 0.1033 0.1015
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.013 0.0899 0.0881
Trypanosoma brucei protein kinase, putative 0.0059 0.0087 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0272 0.252 1
Echinococcus multilocularis glycine receptor subunit beta 0.0272 0.252 1
Brugia malayi Bm-MIF-1, identical 0.0366 0.3592 0.358
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0019 0.0019
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0272 0.252 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0272 0.252 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0059 0.0087 0.0271
Brugia malayi intracellular kinase 0.0059 0.0087 0.0068
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0272 0.252 1
Echinococcus granulosus nAChR subunit 0.0272 0.252 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0272 0.252 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0059 0.0087 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0272 0.252 0.252
Brugia malayi hypothetical protein 0.0446 0.4512 0.4501
Schistosoma mansoni acetylcholine receptor subunit beta 0.013 0.0899 0.3517
Entamoeba histolytica protein kinase domain containing protein 0.0059 0.0087 0.0189
Giardia lamblia Kinase, CMGC GSK 0.0059 0.0087 0.0189
Echinococcus multilocularis glycine receptor subunit beta 0.0272 0.252 1
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0272 0.252 0.2506
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0272 0.252 0.252
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0059 0.0087 0.0189
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0272 0.252 1
Onchocerca volvulus 0.013 0.0899 0.1835
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0027 0.0027
Onchocerca volvulus 0.013 0.0899 0.1835
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0272 0.252 0.2506
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0272 0.252 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0053 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0142 0.1033 0.1033
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0272 0.252 1
Schistosoma mansoni lipoxygenase 0.0056 0.0047 0.0111
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0142 0.1033 0.1015
Plasmodium falciparum glycogen synthase kinase 3 0.0059 0.0087 0.0189
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0272 0.252 1
Brugia malayi hypothetical protein 0.013 0.0899 0.0881
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0366 0.3592 1
Loa Loa (eye worm) ACC-1 protein 0.0272 0.252 0.252
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0142 0.1033 0.4052
Schistosoma mansoni nAChR subunit 0.013 0.0899 0.3517
Onchocerca volvulus 0.0272 0.252 0.5499
Loa Loa (eye worm) hypothetical protein 0.089 0.9584 0.9584
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Brugia malayi hypothetical protein 0.013 0.0899 0.0881
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0142 0.1033 0.4052
Onchocerca volvulus 0.0272 0.252 0.5499
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0272 0.252 0.2506
Loa Loa (eye worm) hypothetical protein 0.0142 0.1033 0.1033
Loa Loa (eye worm) hypothetical protein 0.013 0.0899 0.0899
Loa Loa (eye worm) hypothetical protein 0.0272 0.252 0.252

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.003 uM Inhibition of human CDK2 by HTRF assay ChEMBL. 18835709
IC50 (binding) = 0.005 uM Inhibition of GSK3-beta by scintillation proximity assay ChEMBL. 18835709
IC50 (binding) = 0.008 uM Inhibition of CDK4 by radioactive glutathione plate-binding assay ChEMBL. 18835709
Ki (binding) < 0.01 uM Binding affinity for human glycogen synthase kinase 3 beta ChEMBL. 15341487
Ki (binding) < 0.01 uM Binding affinity for human glycogen synthase kinase 3 beta ChEMBL. 15341487
Ki (binding) = 0.02 uM Binding affinity for human cyclin-dependent kinase 2 ChEMBL. 15341487
Ki (binding) = 0.02 uM Binding affinity for human cyclin-dependent kinase 4 ChEMBL. 15341487
Ki (binding) = 0.02 uM Binding affinity for human cyclin-dependent kinase 2 ChEMBL. 15341487
Ki (binding) = 0.02 uM Binding affinity for human cyclin-dependent kinase 4 ChEMBL. 15341487

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

2 literature references were collected for this gene.

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