Detailed information for compound 1438677

Basic information

Technical information
  • TDR Targets ID: 1438677
  • Name: 6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4 ]triazolo[3,4-a]phthalazine
  • MW: 366.415 | Formula: C23H18N4O
  • H donors: 0 H acceptors: 3 LogP: 4.65 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1nn2c(nnc2c2c1cccc2)c1ccccc1C
  • InChi: 1S/C23H18N4O/c1-15-7-3-4-8-18(15)22-24-25-23-20-10-6-5-9-19(20)21(26-27(22)23)16-11-13-17(28-2)14-12-16/h3-14H,1-2H3
  • InChiKey: JWROPMKSEKMICN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • STOCK4S-15969
  • ZINC01113942
  • NCGC00101775-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi aurora B kinase, putative 0.0261 0.1495 0.1473
Echinococcus multilocularis dual specificity 0.055 0.3441 0.3441
Schistosoma mansoni hypothetical protein 0.0063 0.0164 0.0146
Echinococcus granulosus RUN 0.0063 0.0164 0.0164
Brugia malayi intracellular kinase 0.0798 0.511 0.5114
Schistosoma mansoni vesicular amine transporter 0.0046 0.0053 0.0035
Trichomonas vaginalis AGC family protein kinase 0.0261 0.1495 0.2642
Trypanosoma brucei cdc2-related kinase 3 0.084 0.5389 0.538
Echinococcus granulosus tyrosine protein kinase Fyn 0.0042 0.0025 0.0025
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0042 0.0025 0.0025
Echinococcus granulosus cyclin B 0.0102 0.0427 0.0427
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0261 0.1495 0.1481
Trypanosoma cruzi casein kinase, putative 0.0484 0.2995 0.2978
Schistosoma mansoni serine/threonine protein kinase 0.1524 0.9993 0.9993
Entamoeba histolytica cyclin family protein 0.0053 0.0096 0.0079
Trypanosoma cruzi CYC2-like cyclin, putative 0.0102 0.0427 0.0401
Echinococcus multilocularis lipoxygenase domain containing protein 0.0063 0.0164 0.0164
Plasmodium falciparum protein kinase 5 0.084 0.5389 1
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0261 0.1495 0.1481
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.5347 0.5338
Loa Loa (eye worm) hypothetical protein 0.0041 0.0018 0.0018
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0042 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0046 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0102 0.0427 0.0427
Trypanosoma cruzi cdc2-related kinase 3 0.084 0.5389 0.538
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.055 0.3441 0.6378
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0089 0.0089
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0484 0.2995 0.2995
Schistosoma mansoni cyclin B3 0.0163 0.0838 0.0821
Echinococcus granulosus casein kinase i 0.0484 0.2995 0.2995
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0097 0.0392 0.0709
Echinococcus granulosus aurora kinase A 0.0261 0.1495 0.1495
Echinococcus multilocularis tumor protein p63 0.0408 0.2486 0.2486
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.055 0.3441 0.3425
Echinococcus multilocularis Immunoglobulin 0.0046 0.0053 0.0053
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0046 0.0053 0.0035
Echinococcus multilocularis casein kinase I alpha 0.0484 0.2995 0.2995
Echinococcus multilocularis 0.0059 0.0141 0.0141
Echinococcus granulosus casein kinase I delta 0.0484 0.2995 0.2995
Echinococcus multilocularis RUN 0.0063 0.0164 0.0164
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0046 0.0053 0.0053
Schistosoma mansoni rab6-interacting 0.0063 0.0164 0.0146
Trichomonas vaginalis CK1 family protein kinase 0.0484 0.2995 0.5476
Echinococcus multilocularis aurora kinase A 0.0261 0.1495 0.1495
Leishmania major casein kinase, putative 0.0484 0.2995 0.2978
Echinococcus multilocularis cyclins 0.0053 0.0096 0.0096
Entamoeba histolytica protein kinase, putative 0.0798 0.511 0.5105
Loa Loa (eye worm) AUR protein kinase 0.0261 0.1495 0.1495
Trypanosoma brucei cdc2-related kinase 1 0.084 0.5389 0.538
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0097 0.0392 0.0366
Leishmania major protein kinase, putative 0.0261 0.1495 0.1473
Echinococcus granulosus cyclin B3 1 0.0053 0.0096 0.0096
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0798 0.511 0.5101
Giardia lamblia Kinase, CMGC CDK 0.084 0.5389 1
Trypanosoma brucei casein kinase I, isoform 2 0.0484 0.2995 0.2978
Schistosoma mansoni serine/threonine protein kinase 0.0484 0.2995 0.2982
Trichomonas vaginalis CMGC family protein kinase 0.084 0.5389 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.1524 0.9993 1
Trypanosoma cruzi cyclin 6, putative 0.0102 0.0427 0.0401
Loa Loa (eye worm) hypothetical protein 0.006 0.0146 0.0146
Echinococcus granulosus cyclins 0.0053 0.0096 0.0096
Brugia malayi casein kinase 1, delta 0.0484 0.2995 0.2997
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0097 0.0392 0.0366
Loa Loa (eye worm) hypothetical protein 0.1525 1 1
Echinococcus multilocularis dual specificity 0.055 0.3441 0.3441
Echinococcus granulosus roundabout 2 0.0046 0.0053 0.0053
Onchocerca volvulus 0.0446 0.2744 0.5355
Echinococcus multilocularis dual specificity 0.1524 0.9993 0.9993
Trypanosoma cruzi cyclin, putative 0.0102 0.0427 0.0401
Entamoeba histolytica protein kinase, putative 0.1524 0.9993 1
Entamoeba histolytica protein kinase domain containing protein 0.0798 0.511 0.5105
Loa Loa (eye worm) hypothetical protein 0.0102 0.0427 0.0427
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.0105 0.0449 0.0423
Entamoeba histolytica protein kinase domain containing protein 0.055 0.3441 0.3432
Entamoeba histolytica protein kinase, putative 0.0261 0.1495 0.1481
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.0392 0.0374
Trichomonas vaginalis AGC family protein kinase 0.0261 0.1495 0.2642
Loa Loa (eye worm) hypothetical protein 0.0059 0.0141 0.0141
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0798 0.511 0.511
Plasmodium falciparum serine/threonine protein kinase, putative 0.0261 0.1495 0.2737
Echinococcus multilocularis cyclin dependent kinase 5 0.084 0.5389 0.5389
Trichomonas vaginalis CMGC family protein kinase 0.055 0.3441 0.632
Loa Loa (eye worm) hypothetical protein 0.073 0.4652 0.4652
Echinococcus granulosus cyclin dependent kinase 5 0.084 0.5389 0.5389
Trichomonas vaginalis CK1 family protein kinase 0.0484 0.2995 0.5476
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0034 0.0034
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0097 0.0392 0.0392
Entamoeba histolytica casein kinase 1, putative 0.0484 0.2995 0.2985
Schistosoma mansoni lipoxygenase 0.0376 0.227 0.2256
Loa Loa (eye worm) doublecortin family protein 0.0063 0.0164 0.0164
Brugia malayi hypothetical protein 0.0063 0.0164 0.0164
Echinococcus granulosus tyrosine protein kinase Lyn 0.0079 0.0275 0.0275
Echinococcus granulosus activin receptor type 0.0042 0.0027 0.0027
Echinococcus multilocularis protein kinase shaggy 0.0798 0.511 0.511
Entamoeba histolytica protein kinase, putative 0.1524 0.9993 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.5347 0.5347
Echinococcus multilocularis cyclin dependent kinase 1 0.084 0.5389 0.5389
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0042 0.0025 0.0025
Echinococcus multilocularis cyclin B3 1 0.0053 0.0096 0.0096
Schistosoma mansoni cyclins 0.0053 0.0096 0.0078
Entamoeba histolytica cyclin, putative 0.0053 0.0096 0.0079
Echinococcus granulosus cyclins 0.0053 0.0096 0.0096
Entamoeba histolytica cyclin family protein 0.0053 0.0096 0.0079
Loa Loa (eye worm) hypothetical protein 0.0802 0.5138 0.5138
Entamoeba histolytica protein kinase , putative 0.0261 0.1495 0.1481
Brugia malayi Protein kinase domain containing protein 0.1524 0.9993 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0102 0.0427 0.0428
Trichomonas vaginalis cyclins, putative 0.0062 0.0158 0.0117
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0042 0.0025 0.0025
Echinococcus multilocularis Immunoglobulin 0.0046 0.0053 0.0053
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0042 0.0025 0.0025
Echinococcus granulosus cyclin dependent kinase 1 0.084 0.5389 0.5389
Echinococcus granulosus lipoxygenase domain containing protein 0.0063 0.0164 0.0164
Echinococcus multilocularis cyclins 0.0053 0.0096 0.0096
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0042 0.0025 0.0025
Trypanosoma brucei mitotic cyclin 6 0.0102 0.0427 0.0401
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.1524 0.9993 0.9993
Plasmodium vivax serine/threonine kinase-1, putative 0.0097 0.0392 0.0435
Echinococcus granulosus tumor protein p63 0.0408 0.2486 0.2486
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0053 0.0053
Giardia lamblia Kinase, CMGC GSK 0.0798 0.511 0.9473
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.084 0.5389 0.5389
Brugia malayi Protein kinase domain containing protein 0.0097 0.0392 0.0392
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.084 0.5389 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0049 0.0072 0.0072
Entamoeba histolytica cell division protein kinase 2, putative 0.084 0.5389 0.5385
Trichomonas vaginalis CMGC family protein kinase 0.055 0.3441 0.632
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0146 0.0146
Schistosoma mansoni loxhd1 0.0063 0.0164 0.0146
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.084 0.5389 0.538
Echinococcus granulosus casein kinase I alpha 0.0484 0.2995 0.2995
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.1524 0.9993 1
Echinococcus granulosus dual specificity 0.055 0.3441 0.3441
Loa Loa (eye worm) hypothetical protein 0.0046 0.0053 0.0053
Trichomonas vaginalis CMGC family protein kinase 0.084 0.5389 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0042 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0046 0.0053 0.0053
Plasmodium falciparum glycogen synthase kinase 3 0.0798 0.511 0.948
Loa Loa (eye worm) hypothetical protein 0.073 0.4652 0.4652
Giardia lamblia G2/mitotic-specific cyclin B 0.0102 0.0427 0.0625
Trichomonas vaginalis cyclin B, putative 0.0102 0.0427 0.0625
Trichomonas vaginalis AGC family protein kinase 0.0105 0.0449 0.0667
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0034 0.0034
Onchocerca volvulus 0.006 0.0143 0.0248
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.1524 0.9993 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0042 0.0025 0.0025
Plasmodium falciparum casein kinase 1 0.0484 0.2995 0.5535
Onchocerca volvulus 0.0484 0.2995 0.5847
Echinococcus multilocularis neuroglian 0.0046 0.0053 0.0053
Schistosoma mansoni lipoxygenase 0.0263 0.1509 0.1494
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0163 0.0838 0.0838
Echinococcus granulosus cyclins 0.0053 0.0096 0.0096
Trichomonas vaginalis cyclin B, putative 0.0102 0.0427 0.0625
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.0392 0.0374
Leishmania major protein kinase, putative 0.0097 0.0392 0.0366
Echinococcus granulosus Polycystic kidney disease protein 0.0063 0.0164 0.0164
Entamoeba histolytica cell division protein kinase 2, putative 0.084 0.5389 0.5385
Schistosoma mansoni hypothetical protein 0.0043 0.0034 0.0015
Echinococcus multilocularis dual specificity protein kinase clk2 0.0097 0.0392 0.0392
Schistosoma mansoni protein kinase 0.0042 0.0027 0.0009
Giardia lamblia Kinase, CMGC CLK 0.0097 0.0392 0.0558
Echinococcus multilocularis casein kinase I delta 0.0484 0.2995 0.2995
Schistosoma mansoni rab6-interacting 0.0063 0.0164 0.0146
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0261 0.1495 0.1495
Loa Loa (eye worm) cyclin domain-containing protein 0.0163 0.0838 0.0838
Schistosoma mansoni cyclin B 0.0102 0.0427 0.041
Echinococcus multilocularis cyclins 0.0053 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.006 0.0143 0.0143
Brugia malayi Cyclin, N-terminal domain containing protein 0.0102 0.0427 0.0428
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.1525 1 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0798 0.511 0.51
Loa Loa (eye worm) CK1/CK1/CK1-D protein kinase 0.0484 0.2995 0.2995
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0146 0.0146
Loa Loa (eye worm) AUR protein kinase 0.0261 0.1495 0.1495
Schistosoma mansoni serine/threonine protein kinase 0.055 0.3441 0.3429
Echinococcus granulosus twitchin 0.0084 0.0304 0.0304
Echinococcus granulosus lipoxygenase domain containing protein 0.0063 0.0164 0.0164
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0143 0.0125
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0042 0.0027 0.0027
Echinococcus granulosus tyrosine protein kinase Fyn 0.0042 0.0025 0.0025
Brugia malayi Fibronectin type III domain containing protein 0.0046 0.0053 0.0053
Trichomonas vaginalis CMGC family protein kinase 0.055 0.3441 0.632
Brugia malayi serine/threonine-protein kinase 6 0.0261 0.1495 0.1496
Echinococcus granulosus casein kinase I alpha 0.0484 0.2995 0.2995
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0042 0.0025 0.0025
Echinococcus granulosus casein kinase I alpha 0.0484 0.2995 0.2995
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0376 0.227 0.227
Echinococcus multilocularis lipoxygenase domain containing protein 0.0063 0.0164 0.0164
Trichomonas vaginalis CMGC family protein kinase 0.084 0.5389 1
Schistosoma mansoni nephrin 0.0046 0.0053 0.0035
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.055 0.3441 0.3443
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0798 0.511 0.511
Echinococcus granulosus Immunoglobulin 0.0046 0.0053 0.0053
Trichomonas vaginalis CK1 family protein kinase 0.0484 0.2995 0.5476
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0798 0.511 0.511
Entamoeba histolytica protein kinase domain containing protein 0.0261 0.1495 0.1481
Schistosoma mansoni serine/threonine protein kinase 0.084 0.5389 0.538
Trichomonas vaginalis CMGC family protein kinase 0.055 0.3441 0.632
Entamoeba histolytica protein kinase, putative 0.0261 0.1495 0.1481
Echinococcus multilocularis cyclins 0.0053 0.0096 0.0096
Trypanosoma cruzi casein kinase, putative 0.0484 0.2995 0.2978
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0042 0.0025 0.0025
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0798 0.511 0.9482
Onchocerca volvulus 0.0063 0.0164 0.029
Schistosoma mansoni polycystin 1-related 0.0063 0.0164 0.0146
Trypanosoma cruzi casein kinase, putative 0.0484 0.2995 0.2978
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.055 0.3441 0.3425
Trypanosoma cruzi cdc2-related kinase 3 0.084 0.5389 0.538
Echinococcus multilocularis casein kinase i 0.0484 0.2995 0.2995
Leishmania major protein kinase, putative,eukaryotic translation initiation factor 2-alpha kinase precursor, putative 0.0105 0.0449 0.0423
Echinococcus multilocularis cyclins 0.0053 0.0096 0.0096
Entamoeba histolytica protein kinase domain containing protein 0.0798 0.511 0.5105
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0261 0.1495 0.2547
Trichomonas vaginalis cyclin A, putative 0.0102 0.0427 0.0625
Echinococcus granulosus casein kinase I delta 0.0484 0.2995 0.2995
Trypanosoma cruzi cdc2-related kinase 1 0.084 0.5389 0.538
Giardia lamblia Kinase, CK1 Casein kinase 0.0484 0.2995 0.5476
Loa Loa (eye worm) SRC-1 0.0042 0.0025 0.0025
Entamoeba histolytica cyclin, putative 0.0102 0.0427 0.0411
Brugia malayi hypothetical protein 0.0046 0.0053 0.0053
Plasmodium falciparum protein serine/threonine kinase-1 0.0097 0.0392 0.068
Brugia malayi serine/threonine protein kinase 6 0.0261 0.1495 0.1496
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0798 0.511 0.51
Trichomonas vaginalis CMGC family protein kinase 0.0798 0.511 0.9473
Echinococcus multilocularis casein kinase I alpha 0.0484 0.2995 0.2995
Schistosoma mansoni cell adhesion molecule 0.0046 0.0053 0.0035
Trypanosoma cruzi casein kinase, putative 0.0484 0.2995 0.2978
Brugia malayi cell division control protein 2 homolog 0.084 0.5389 0.5393
Plasmodium vivax serine/threonine protein kinase, putative 0.0105 0.0449 0.0545
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.084 0.5389 0.538
Brugia malayi Protein kinase domain containing protein 0.084 0.5389 0.5393
Echinococcus multilocularis activin receptor type 0.0042 0.0027 0.0027
Trypanosoma cruzi cdc2-related kinase 1 0.084 0.5389 0.538
Loa Loa (eye worm) AUR protein kinase 0.0261 0.1495 0.1495
Echinococcus granulosus dual specificity protein kinase clk2 0.0097 0.0392 0.0392
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0046 0.0053 0.0035
Trichomonas vaginalis cyclins, putative 0.0102 0.0427 0.0625
Echinococcus granulosus neuroglian 0.0046 0.0053 0.0053
Trichomonas vaginalis CMGC family protein kinase 0.0097 0.0392 0.0558
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0097 0.0392 0.0366
Brugia malayi Cyclin, N-terminal domain containing protein 0.0163 0.0838 0.0838
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.1525 1 1
Echinococcus granulosus hypothetical protein 0.0059 0.0141 0.0141
Brugia malayi Doublecortin family protein 0.0063 0.0164 0.0164
Trichomonas vaginalis CMGC family protein kinase 0.0798 0.511 0.9473
Schistosoma mansoni protein kinase 0.0042 0.0027 0.0009
Loa Loa (eye worm) hypothetical protein 0.0046 0.0053 0.0053
Echinococcus multilocularis roundabout 2 0.0046 0.0053 0.0053
Echinococcus multilocularis casein kinase I alpha 0.0484 0.2995 0.2995
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.0068 0.0199 0.0172
Echinococcus multilocularis casein kinase I delta 0.0484 0.2995 0.2995
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0097 0.0392 0.0366
Schistosoma mansoni protein kinase 0.0042 0.0027 0.0009
Echinococcus granulosus tyrosine protein kinase Src64B 0.0042 0.0025 0.0025
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.055 0.3441 0.3441
Toxoplasma gondii aurora kinase 0.0261 0.1495 0.276
Loa Loa (eye worm) hypothetical protein 0.0063 0.0164 0.0164
Echinococcus granulosus dual specificity 0.1524 0.9993 0.9993
Onchocerca volvulus 0.0063 0.0164 0.029
Entamoeba histolytica hypothetical protein 0.0043 0.0034 0.0016
Loa Loa (eye worm) hypothetical protein 0.0063 0.0164 0.0164
Trichomonas vaginalis CMGC family protein kinase 0.055 0.3441 0.632
Schistosoma mansoni tyrosine kinase 0.0042 0.0025 0.0007
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0042 0.0025 0.0025
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0261 0.1495 0.1495
Echinococcus multilocularis cyclins 0.0053 0.0096 0.0096
Echinococcus granulosus protein kinase shaggy 0.0798 0.511 0.511
Echinococcus granulosus cyclins 0.0053 0.0096 0.0096
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0052 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0046 0.0053 0.0053
Brugia malayi hypothetical protein 0.0063 0.0164 0.0164
Echinococcus granulosus dual specificity 0.055 0.3441 0.3441
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0097 0.0392 0.0366
Plasmodium vivax casein kinase 1, putative 0.0484 0.2995 0.5417
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.5347 0.5347
Trichomonas vaginalis cyclins, putative 0.0102 0.0427 0.0625
Trichomonas vaginalis CMGC family protein kinase 0.055 0.3441 0.632
Plasmodium vivax glycogen synthase kinase 3, putative 0.0798 0.511 0.9467
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.0105 0.0449 0.0423
Giardia lamblia Aurora kinase 0.0261 0.1495 0.2642
Toxoplasma gondii casein kinase I 0.0484 0.2995 0.5548
Trypanosoma cruzi casein kinase, putative 0.0484 0.2995 0.2978
Onchocerca volvulus 0.0102 0.0427 0.0806
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0042 0.0025 0.0025
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0261 0.1495 0.1481
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0046 0.0053 0.0053
Plasmodium falciparum cyclin 0.0053 0.0096 0.0129
Loa Loa (eye worm) hypothetical protein 0.0046 0.0053 0.0053
Echinococcus multilocularis cyclins 0.0053 0.0096 0.0096
Trichomonas vaginalis AGC family protein kinase 0.0261 0.1495 0.2642
Echinococcus multilocularis cyclin b3 0.0053 0.0096 0.0096
Brugia malayi hypothetical protein 0.073 0.4652 0.4656
Brugia malayi hypothetical protein 0.0043 0.0034 0.0034
Entamoeba histolytica hypothetical protein 0.0043 0.0034 0.0016
Giardia lamblia Kinase, CMGC CDK 0.084 0.5389 1
Entamoeba histolytica protein kinase, putative 0.055 0.3441 0.3432
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0146 0.0146
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.055 0.3441 0.3425
Echinococcus multilocularis cyclin B 0.0102 0.0427 0.0427
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0163 0.0838 0.0838
Loa Loa (eye worm) hypothetical protein 0.1487 0.9742 0.9742
Loa Loa (eye worm) hypothetical protein 0.1487 0.9742 0.9742
Leishmania major protein kinase, putative 0.0097 0.0392 0.0366
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0484 0.2995 0.2978
Loa Loa (eye worm) hypothetical protein 0.0046 0.0053 0.0053
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0042 0.0025 0.0025
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0798 0.511 0.511
Echinococcus granulosus cyclins 0.0053 0.0096 0.0096
Schistosoma mansoni protein kinase 0.0261 0.1495 0.1479
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.084 0.5389 0.5389
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0446 0.2744 0.2726
Echinococcus granulosus tyrosine protein kinase Fyn 0.0042 0.0025 0.0025
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0376 0.227 0.227
Schistosoma mansoni tyrosine kinase 0.0042 0.0025 0.0007
Plasmodium falciparum LCCL domain-containing protein 0.0063 0.0164 0.0255
Trypanosoma brucei eukaryotic translation initiation factor 2-alpha kinase 2 0.0105 0.0449 0.0423
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.084 0.5389 0.5389
Giardia lamblia Kinase, CMGC DYRK 0.055 0.3441 0.632
Leishmania major cyclin 0.0102 0.0427 0.0401
Onchocerca volvulus 0.0798 0.511 1
Brugia malayi SRC-1 0.0042 0.0025 0.0025
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.084 0.5389 0.5389
Entamoeba histolytica protein kinase domain containing protein 0.1524 0.9993 1
Echinococcus granulosus dual specificity 0.055 0.3441 0.3441
Brugia malayi casein kinase I 0.0484 0.2995 0.2997
Schistosoma mansoni serine/threonine protein kinase 0.0261 0.1495 0.1479
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0102 0.0427 0.0401
Echinococcus granulosus defective proboscis extension response 0.0046 0.0053 0.0053
Plasmodium vivax protein kinase Crk2 0.084 0.5389 1
Entamoeba histolytica hypothetical protein 0.1524 0.9993 1
Trypanosoma cruzi cyclin, putative 0.0102 0.0427 0.0401
Schistosoma mansoni protein kinase 0.0484 0.2995 0.2982
Trichomonas vaginalis cyclin B, putative 0.0102 0.0427 0.0625
Trichomonas vaginalis cyclins, putative 0.0102 0.0427 0.0625
Trichomonas vaginalis STE family protein kinase 0.0105 0.0449 0.0667
Trypanosoma brucei protein kinase, putative 0.0798 0.511 0.51
Brugia malayi serine/threonine kinase 12 0.0261 0.1495 0.1496
Trichomonas vaginalis cyclin B, putative 0.0102 0.0427 0.0625
Entamoeba histolytica hypothetical protein 0.0043 0.0034 0.0016
Entamoeba histolytica protein kinase domain containing protein 0.0042 0.0027 0.001
Echinococcus granulosus cyclin dependent kinase 0.084 0.5389 0.5389
Echinococcus multilocularis dual specificity 0.055 0.3441 0.3441
Entamoeba histolytica casein kinase, putative 0.0484 0.2995 0.2985
Echinococcus multilocularis cyclin dependent kinase 0.084 0.5389 0.5389
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0097 0.0392 0.0366
Trichomonas vaginalis AGC family protein kinase 0.0261 0.1495 0.2642
Echinococcus granulosus cyclin b3 0.0053 0.0096 0.0096
Entamoeba histolytica hypothetical protein 0.0043 0.0034 0.0016
Giardia lamblia Kinase, CMGC GSK 0.0798 0.511 0.9473
Echinococcus multilocularis cyclin dependent kinase 1 0.084 0.5389 0.5389
Loa Loa (eye worm) hypothetical protein 0.0046 0.0053 0.0053
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0484 0.2995 0.2995
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0034 0.0015
Echinococcus multilocularis Polycystic kidney disease protein 0.0063 0.0164 0.0164
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0042 0.0027 0.0031
Trypanosoma brucei aurora B kinase 0.0261 0.1495 0.1473
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0018 0.0018
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.1524 0.9993 1
Schistosoma mansoni serine/threonine protein kinase 0.084 0.5389 0.538
Trichomonas vaginalis cyclins, putative 0.0102 0.0427 0.0625

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (binding) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 10 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): Confirmation of Cherrypicks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

No literature references available for this target.

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