Detailed information for compound 1050856

Basic information

Technical information
  • TDR Targets ID: 1050856
  • Name: 3,6-diamino-1-methyl-4-phenyl-1H-pyrazolo[3,4 -b]pyridine-5-carbonitrile
  • MW: 264.285 | Formula: C14H12N6
  • H donors: 2 H acceptors: 3 LogP: 2.04 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(N)nc2c(c1c1ccccc1)c(N)nn2C
  • InChi: 1S/C14H12N6/c1-20-14-11(13(17)19-20)10(8-5-3-2-4-6-8)9(7-15)12(16)18-14/h2-6H,1H3,(H2,16,18)(H2,17,19)
  • InChiKey: HOBVNLOUQLAQOI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000756173
  • SMR000229994

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin-dependent kinase 5, regulatory subunit 1 (p35) References
Homo sapiens dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A Starlite/ChEMBL References
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No 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 braziliensis cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum cell division related protein kinase 2,cdc2-related 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
Schistosoma japonicum hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Plasmodium yoelii cdc2-related kinase 2 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
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni cyclin-dependent kinase 5 activator 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
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium berghei cdc2-related kinase 2 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
Schistosoma mansoni serine/threonine protein kinase 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
Echinococcus granulosus cyclin dependent kinase 5 activator 1 Get druggable targets OG5_133447 All targets in OG5_133447
Brugia malayi cell division control protein 2 homolog 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 multilocularis cyclin dependent kinase 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 falciparum protein kinase 5 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
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus cyclin dependent kinase 1 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
Entamoeba histolytica cell division protein kinase 2, 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
Brugia malayi hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei 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
Trichomonas vaginalis CMGC family 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
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi cdc2-related kinase 1 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
Leishmania donovani cell division protein kinase 2 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 5 activator 1 Get druggable targets OG5_133447 All targets in OG5_133447
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus cyclin dependent kinase 5 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
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Plasmodium knowlesi Cell division control protein 2 homolog 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) hypothetical protein Get druggable targets OG5_133447 All targets in OG5_133447
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania major cell division related protein kinase 2,cdc2-related kinase 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 serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis cyclin dependent 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
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Cryptosporidium hominis cdc2-like protein kinase 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 mansoni serine/threonine protein 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
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative 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
Echinococcus multilocularis cyclin dependent kinase 1 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
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Neospora caninum CMGC kinase, CDK family TgPK2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum cell division protein kinase 2,cdc2-related kinase 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
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126712 All targets in OG5_126712
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 5 260 aa 307 aa 28.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus enteropeptidase 0.0072 0.0734 0.128
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0072 0.0734 0.128
Echinococcus multilocularis nAChR subunit 0.0082 0.0894 0.1623
Schistosoma mansoni nAChR subunit 0.0082 0.0894 0.0767
Onchocerca volvulus 0.0072 0.0734 0.061
Onchocerca volvulus 0.0535 0.8676 0.8729
Onchocerca volvulus 0.0072 0.0734 0.061
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0524 0.0529
Echinococcus multilocularis cyclin dependent kinase 5 0.0053 0.0403 0.057
Onchocerca volvulus 0.0072 0.0734 0.061
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0072 0.0734 0.0605
Brugia malayi Cation transporter family protein 0.0259 0.3944 0.3976
Loa Loa (eye worm) hypothetical protein 0.0222 0.3297 0.3305
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0082 0.0894 0.1623
Schistosoma mansoni cercarial elastase (S01 family) 0.0072 0.0734 0.0605
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0056 0.0446 0.1785
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0153 0.2121 0.2116
Echinococcus granulosus glycine receptor subunit alpha 1 0.0082 0.0894 0.1623
Echinococcus multilocularis dual specificity 0.0109 0.1359 0.2621
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0082 0.0894 0.0901
Loa Loa (eye worm) hypothetical protein 0.0044 0.0247 0.0222
Echinococcus granulosus nAChR subunit 0.0082 0.0894 0.1623
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0082 0.0894 0.0901
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0082 0.0894 0.0767
Brugia malayi serine/threonine-protein kinase 6 0.0056 0.0446 0.0449
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Entamoeba histolytica protein kinase, putative 0.0109 0.1359 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0403 0.0269
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0038 0.0137 0.011
Brugia malayi Trypsin-like protease protein 5 0.0072 0.0734 0.0739
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Echinococcus granulosus glycine receptor subunit alpha 1 0.0082 0.0894 0.1623
Brugia malayi cell division control protein 2 homolog 0.0053 0.0403 0.0406
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0089 0.1011 0.1874
Loa Loa (eye worm) hypothetical protein 0.0044 0.0247 0.0222
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0082 0.0894 0.0901
Brugia malayi serine/threonine protein kinase 6 0.0056 0.0446 0.0449
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0072 0.0734 0.0605
Echinococcus granulosus nAChR subunit 0.0044 0.0247 0.0236
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0044 0.0247 0.0249
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0038 0.0137 0.0138
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0082 0.0894 0.1623
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Brugia malayi hypothetical protein 0.0038 0.0137 0.0138
Mycobacterium ulcerans hypothetical protein 0.0072 0.0734 0.5
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0053 0.0403 0.0379
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0607 0.9919 0.9918
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0082 0.0894 0.1623
Echinococcus granulosus ephrin type A receptor 4 A 0.0062 0.0559 0.0904
Echinococcus granulosus dual specificity 0.0109 0.1359 0.2621
Brugia malayi Cation transporter family protein 0.0082 0.0894 0.0901
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0082 0.0894 0.1623
Onchocerca volvulus 0.0044 0.0247 0.0113
Loa Loa (eye worm) hypothetical protein 0.0153 0.2121 0.2116
Entamoeba histolytica protein kinase domain containing protein 0.0056 0.0446 0.1785
Onchocerca volvulus 0.0259 0.3944 0.3891
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0072 0.0734 0.128
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.0137 0.0138
Trichomonas vaginalis AGC family protein kinase 0.0056 0.0446 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.0403 0.057
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0082 0.0894 0.1623
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0082 0.0894 0.0901
Loa Loa (eye worm) hypothetical protein 0.0044 0.0247 0.0222
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0082 0.0894 0.0901
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0072 0.0734 0.0605
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Entamoeba histolytica protein kinase domain containing protein 0.0109 0.1359 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0082 0.0894 0.0901
Echinococcus multilocularis cyclin dependent kinase 0.0053 0.0403 0.057
Schistosoma mansoni cercarial elastase (S01 family) 0.0072 0.0734 0.0605
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0109 0.1359 1
Loa Loa (eye worm) TK/EPH protein kinase 0.0079 0.0848 0.0829
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0082 0.0894 0.0901
Onchocerca volvulus 0.0082 0.0894 0.0774
Echinococcus granulosus cyclin dependent kinase 1 0.0053 0.0403 0.057
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0109 0.1359 1
Toxoplasma gondii aurora kinase 0.0056 0.0446 0.0108
Echinococcus granulosus glycoprotein Antigen 5 0.0072 0.0734 0.128
Schistosoma mansoni nAChR subunit 0.0082 0.0894 0.0767
Brugia malayi excitatory GABA receptor EXP-1A 0.0082 0.0894 0.0901
Loa Loa (eye worm) hypothetical protein 0.0072 0.0734 0.0713
Loa Loa (eye worm) hypothetical protein 0.0044 0.0247 0.0222
Onchocerca volvulus 0.0259 0.3944 0.3891
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.0137 0.0138
Entamoeba histolytica protein kinase , putative 0.0056 0.0446 0.1785
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.0309 0.4799 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0524 0.0529
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.0403 0.1398
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0259 0.3944 0.3859
Brugia malayi hypothetical protein 0.0038 0.0137 0.0138
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0082 0.0894 0.0875
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0153 0.2121 0.4255
Entamoeba histolytica protein kinase, putative 0.0056 0.0446 0.1785
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Echinococcus granulosus sodium channel protein 0.0089 0.1011 0.1874
Loa Loa (eye worm) hypothetical protein 0.0072 0.0734 0.0713
Loa Loa (eye worm) hypothetical protein 0.0259 0.3944 0.3959
Schistosoma mansoni cercarial elastase (S01 family) 0.0072 0.0734 0.0605
Echinococcus multilocularis enteropeptidase 0.0072 0.0734 0.128
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0109 0.1359 1
Entamoeba histolytica protein kinase, putative 0.0109 0.1359 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0072 0.0734 0.0605
Echinococcus granulosus cyclin dependent kinase 0.0053 0.0403 0.057
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0044 0.0247 0.0249
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0259 0.3944 0.3859
Schistosoma mansoni nAChR subunit 0.0082 0.0894 0.0767
Schistosoma mansoni hypothetical protein 0.0072 0.0734 0.0605
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Onchocerca volvulus 0.0072 0.0734 0.061
Schistosoma mansoni cercarial elastase (S01 family) 0.0072 0.0734 0.0605
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0038 0.0137 0.0138
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0038 0.0137 0.011
Onchocerca volvulus 0.0607 0.9919 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1332 0.1318
Echinococcus multilocularis Mastin 0.0072 0.0734 0.128
Loa Loa (eye worm) hypothetical protein 0.0041 0.0197 0.0171
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0082 0.0894 0.0875
Brugia malayi Trypsin family protein 0.0072 0.0734 0.0739
Schistosoma mansoni cercarial elastase (S01 family) 0.0072 0.0734 0.0605
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0403 0.0269
Brugia malayi Cation transporter family protein 0.0082 0.0894 0.0901
Echinococcus multilocularis glycoprotein Antigen 5 0.0072 0.0734 0.128
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0082 0.0894 0.1623
Loa Loa (eye worm) hypothetical protein 0.0044 0.0247 0.0222
Toxoplasma gondii PAN domain-containing protein 0.0285 0.4386 1
Loa Loa (eye worm) trypsin family protein 0.0072 0.0734 0.0713
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Brugia malayi serine/threonine kinase 12 0.0056 0.0446 0.0449
Trichomonas vaginalis AGC family protein kinase 0.0056 0.0446 1
Entamoeba histolytica protein kinase, putative 0.0056 0.0446 0.1785
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0082 0.0894 0.0901
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0403 0.0379
Brugia malayi hypothetical protein 0.0038 0.0137 0.0138
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0072 0.0734 0.0605
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0309 0.4799 0.4727
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0082 0.0894 0.0901
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Schistosoma mansoni ephrin receptor 0.0062 0.0559 0.0427
Echinococcus granulosus glycine receptor subunit beta 0.0082 0.0894 0.1623
Trichomonas vaginalis AGC family protein kinase 0.0056 0.0446 1
Loa Loa (eye worm) ACC-1 protein 0.0082 0.0894 0.0875
Loa Loa (eye worm) AUR protein kinase 0.0056 0.0446 0.0422
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0153 0.2121 0.4255
Loa Loa (eye worm) hypothetical protein 0.0107 0.1332 0.1318
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0072 0.0734 0.0739
Loa Loa (eye worm) hypothetical protein 0.0044 0.0247 0.0222
Echinococcus multilocularis glycine receptor subunit beta 0.0082 0.0894 0.1623
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0044 0.0247 0.0112
Brugia malayi hypothetical protein 0.0038 0.0137 0.0138
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0082 0.0894 0.0875
Loa Loa (eye worm) AUR protein kinase 0.0056 0.0446 0.0422
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0082 0.0894 0.0767
Loa Loa (eye worm) acetylcholine receptor protein 0.0038 0.0137 0.011
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0082 0.0894 0.0901
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0109 0.1359 0.1345
Echinococcus granulosus Mastin 0.0072 0.0734 0.128
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0082 0.0894 0.0875
Brugia malayi hypothetical protein 0.0072 0.0734 0.0739
Onchocerca volvulus 0.0072 0.0734 0.061
Brugia malayi Trypsin family protein 0.0607 0.9919 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0072 0.0734 0.0605
Schistosoma mansoni nAChR subunit 0.0082 0.0894 0.0767
Leishmania major protein kinase, putative 0.0056 0.0446 0.045
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0072 0.0734 0.128
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0044 0.0247 0.0249
Echinococcus granulosus transmembrane protease serine 3 0.0072 0.0734 0.128
Entamoeba histolytica hypothetical protein 0.0109 0.1359 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Schistosoma mansoni nAChR subunit 0.0082 0.0894 0.0767
Trypanosoma brucei aurora B kinase 0.0056 0.0446 0.045
Brugia malayi Trypsin family protein 0.0072 0.0734 0.0739
Loa Loa (eye worm) hypothetical protein 0.0044 0.0247 0.0222
Loa Loa (eye worm) hypothetical protein 0.0607 0.9919 1
Echinococcus multilocularis nAChR subunit 0.0044 0.0247 0.0236
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0082 0.0894 0.0901
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0082 0.0894 0.1623
Loa Loa (eye worm) hypothetical protein 0.0309 0.4799 0.4823
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0038 0.0137 0.0138
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0109 0.1359 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0082 0.0894 0.0767
Trypanosoma cruzi aurora B kinase, putative 0.0056 0.0446 0.045
Onchocerca volvulus 0.0259 0.3944 0.3891
Schistosoma mansoni nAChR subunit 0.0082 0.0894 0.0767
Schistosoma mansoni nAChR subunit 0.0082 0.0894 0.0767
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0082 0.0894 0.0901
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0044 0.0247 0.0112
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0056 0.0446 0.1785
Loa Loa (eye worm) hypothetical protein 0.0607 0.9919 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Loa Loa (eye worm) hypothetical protein 0.0072 0.0734 0.0713
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0197 0.0199
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0089 0.1011 0.6358
Onchocerca volvulus 0.0044 0.0247 0.0113
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0082 0.0894 0.0901
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Echinococcus multilocularis sodium channel protein 0.0089 0.1011 0.1874
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0072 0.0734 0.0605
Onchocerca volvulus Putative nachr subunit 0.0153 0.2121 0.2028
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Schistosoma mansoni protein kinase 0.0056 0.0446 0.0313
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.0137 0.0138
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.0403 0.057
Echinococcus multilocularis glycine receptor subunit beta 0.0082 0.0894 0.1623
Loa Loa (eye worm) hypothetical protein 0.0072 0.0734 0.0713
Schistosoma mansoni cercarial elastase (S01 family) 0.0072 0.0734 0.0605
Loa Loa (eye worm) ACC-1 protein 0.0082 0.0894 0.0875
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0153 0.2121 0.4255
Echinococcus multilocularis ephrin type A receptor 4 A 0.0062 0.0559 0.0904
Echinococcus granulosus glycine receptor subunit beta 0.0082 0.0894 0.1623
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Loa Loa (eye worm) hypothetical protein 0.0072 0.0734 0.0713
Loa Loa (eye worm) hypothetical protein 0.0259 0.3944 0.3959
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0056 0.0446 0.1785
Loa Loa (eye worm) AUR protein kinase 0.0056 0.0446 0.0422
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Echinococcus granulosus cyclin dependent kinase 5 0.0053 0.0403 0.057
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0309 0.4799 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0056 0.0446 0.0662
Loa Loa (eye worm) LGC-31 protein 0.0082 0.0894 0.0875
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0082 0.0894 0.1623
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0072 0.0734 0.128
Onchocerca volvulus 0.0082 0.0894 0.0774
Onchocerca volvulus 0.0062 0.0547 0.0419
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0082 0.0894 0.1623
Echinococcus granulosus aurora kinase A 0.0056 0.0446 0.0662
Loa Loa (eye worm) hypothetical protein 0.0148 0.2032 0.2026
Giardia lamblia Aurora kinase 0.0056 0.0446 1
Brugia malayi hypothetical protein 0.0148 0.2032 0.2048
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0056 0.0446 1
Schistosoma mansoni hypothetical protein 0.0072 0.0734 0.0605
Schistosoma mansoni cercarial elastase (S01 family) 0.0072 0.0734 0.0605
Echinococcus multilocularis aurora kinase A 0.0056 0.0446 0.0662
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0153 0.2121 0.4255
Schistosoma mansoni cercarial elastase (S01 family) 0.0072 0.0734 0.0605
Brugia malayi hypothetical protein 0.0038 0.0137 0.0138
Plasmodium falciparum serine/threonine protein kinase, putative 0.0056 0.0446 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.2032 0.2026
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0153 0.2121 0.2138
Loa Loa (eye worm) hypothetical protein 0.0062 0.0547 0.0525
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0403 0.0379
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0082 0.0894 0.1623
Toxoplasma gondii PAN domain-containing protein 0.0285 0.4386 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0247 0.0222
Schistosoma mansoni hypothetical protein 0.0041 0.0197 0.0061
Onchocerca volvulus 0.0082 0.0894 0.0774
Trichomonas vaginalis AGC family protein kinase 0.0056 0.0446 1
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.0446 0.0313
Loa Loa (eye worm) hypothetical protein 0.0052 0.0376 0.0352
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0082 0.0894 0.0901
Echinococcus multilocularis transmembrane protease serine 3 0.0072 0.0734 0.128
Loa Loa (eye worm) GABA receptor subunit 0.0044 0.0247 0.0222
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0082 0.0894 0.0767
Brugia malayi Protein kinase domain containing protein 0.0053 0.0403 0.0406
Echinococcus granulosus glycine receptor subunit alpha 1 0.0082 0.0894 0.1623
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.0403 0.1398
Loa Loa (eye worm) hypothetical protein 0.0038 0.0137 0.011
Schistosoma mansoni cercarial elastase (S01 family) 0.0072 0.0734 0.0605
Schistosoma mansoni neurotransmitter gated ion channel 0.0044 0.0247 0.0112
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0082 0.0894 0.0875
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0153 0.2121 0.4255
Brugia malayi Trypsin family protein 0.0072 0.0734 0.0739
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0082 0.0894 0.0901
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0082 0.0894 0.1623
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0044 0.0247 0.0249
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0082 0.0894 0.1623
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0053 0.0403 0.057
Schistosoma mansoni serine/threonine protein kinase 0.0109 0.1359 0.1239
Schistosoma mansoni cercarial elastase (S01 family) 0.0072 0.0734 0.0605
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0056 0.0446 0.0662
Loa Loa (eye worm) hypothetical protein 0.006 0.0524 0.0502
Brugia malayi Protein kinase domain containing protein 0.0109 0.1359 0.137
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0153 0.2121 0.4255
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0524 0.0502
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875
Loa Loa (eye worm) hypothetical protein 0.0082 0.0894 0.0875

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
IC50 (binding) > 10 uM Inhibition of human recombinant GST-fusion DYRK1A expressed in Escherichia coli ChEMBL. 19615897
IC50 (binding) > 10 uM Inhibition of human recombinant CDK5/P25 by scintillation counting ChEMBL. 19615897
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182] ChEMBL. No reference
Potency (functional) 0.0828 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.5997 uM PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272] ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Giardia lamblia

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

1 literature reference was collected for this gene.

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