Detailed information for compound 1345243

Basic information

Technical information
  • TDR Targets ID: 1345243
  • Name: [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
  • MW: 352.384 | Formula: C20H20N2O4
  • H donors: 2 H acceptors: 2 LogP: 2.65 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CNC(=O)COC(=O)Cc1c[nH]c2c1cccc2
  • InChi: 1S/C20H20N2O4/c1-25-18-9-5-2-6-14(18)11-22-19(23)13-26-20(24)10-15-12-21-17-8-4-3-7-16(15)17/h2-9,12,21H,10-11,13H2,1H3,(H,22,23)
  • InChiKey: VWHKIKFUWORQLO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-(1H-indol-3-yl)acetate
  • 2-(1H-indol-3-yl)acetic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester
  • 2-(1H-indol-3-yl)acetic acid [2-keto-2-[(2-methoxybenzyl)amino]ethyl] ester
  • [2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-(1H-indol-3-yl)ethanoate
  • ZINC06384168

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis cyclin dependent kinase 1 0.0155 0.0759 0.1172
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0129 0.0582 0.0898
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.071 0.4611 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0279 0.1618 0.4489
Entamoeba histolytica protein kinase, putative 0.0171 0.087 0.2414
Trichomonas vaginalis CMGC family protein kinase 0.0155 0.0759 0.4471
Trypanosoma cruzi Protein kinase B 0.0098 0.0366 0.2259
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0155 0.0759 0.1033
Trichomonas vaginalis CAMK family protein kinase 0.0279 0.1618 1
Schistosoma mansoni tyrosine kinase 0.049 0.3082 0.6684
Trichomonas vaginalis CAMK family protein kinase 0.012 0.0513 0.2886
Echinococcus granulosus hypothetical protein 0.0195 0.1038 0.1412
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0055 0.0065 0.01
Echinococcus granulosus protein kinase C gamma type 0.0055 0.0065 0.0088
Schistosoma mansoni serine/threonine protein kinase 0.0146 0.0694 0.1506
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.071 0.4611 0.7115
Toxoplasma gondii AGC kinase 0.0131 0.0592 0.515
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.01 0.0375 0.0511
Echinococcus granulosus cyclin dependent kinase 1 0.0155 0.0759 0.1033
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0065 0.014
Giardia lamblia Kinase, AGC PKA 0.0146 0.0694 0.2866
Echinococcus granulosus tyrosine protein kinase Src42A 0.0049 0.0021 0.0029
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0279 0.1618 0.16
Loa Loa (eye worm) hypothetical protein 0.0112 0.0462 0.0442
Echinococcus multilocularis 0.0076 0.021 0.0324
Echinococcus granulosus cyclin dependent kinase 5 0.0155 0.0759 0.1033
Echinococcus multilocularis serine:threonine protein kinase N2 0.0055 0.0065 0.01
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0055 0.0065 0.0088
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0055 0.0065 0.0088
Entamoeba histolytica protein kinase domain containing protein 0.0171 0.087 0.2414
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.071 0.4611 0.6275
Brugia malayi Protein kinase domain containing protein 0.0202 0.1084 0.1065
Schistosoma mansoni serine/threonine protein kinase 0.0155 0.0759 0.1647
Schistosoma mansoni kinase 0.0299 0.176 0.3817
Schistosoma mansoni serine/threonine protein kinase 0.0211 0.115 0.2495
Echinococcus granulosus serine/threonine protein kinase 0.0098 0.0366 0.0497
Brugia malayi Immunoglobulin I-set domain containing protein 0.0261 0.1497 0.1479
Echinococcus granulosus homeodomain interacting protein kinase 3 0.0565 0.3605 0.4906
Schistosoma mansoni serine/threonine protein kinase 0.0146 0.0694 0.1506
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0129 0.0582 0.0792
Loa Loa (eye worm) AGC/PKA protein kinase 0.0146 0.0694 0.0675
Loa Loa (eye worm) hypothetical protein 0.0112 0.0462 0.0442
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0092 0.0323 0.0499
Loa Loa (eye worm) hypothetical protein 0.0159 0.0786 0.0766
Brugia malayi Protein kinase domain containing protein 0.0055 0.0065 0.0044
Brugia malayi serine/threonine-protein kinase plk-2 0.0279 0.1618 0.16
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0049 0.0021 0.0033
Loa Loa (eye worm) CAMK/PIM protein kinase 0.071 0.4611 0.4599
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0076 0.0211 0.0325
Trichomonas vaginalis CMGC family protein kinase 0.02 0.1071 0.6477
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0249 0.141 0.2176
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0065 0.014
Echinococcus granulosus Protein kinase C brain isozyme 0.0055 0.0065 0.0088
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0279 0.1618 0.2202
Trichomonas vaginalis AGC family protein kinase 0.0137 0.0635 0.3669
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0211 0.115 0.7109
Loa Loa (eye worm) AGC/NDR protein kinase 0.0055 0.0065 0.0044
Echinococcus multilocularis c src tyrosine kinase 0.0049 0.0021 0.0033
Trypanosoma brucei cdc2-related kinase 3 0.0155 0.0759 0.4692
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0475 0.2978 0.2963
Brugia malayi Furin-like cysteine rich region family protein 0.049 0.3082 0.3067
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0211 0.115 0.7109
Trichomonas vaginalis AGC family protein kinase 0.0137 0.0635 0.3669
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0076 0.021 0.0189
Echinococcus multilocularis cyclin dependent kinase 0.0155 0.0759 0.1172
Echinococcus multilocularis dual specificity protein kinase clk2 0.0211 0.115 0.1775
Schistosoma mansoni serine/threonine protein kinase 0.071 0.4611 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0152 0.0737 0.2044
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0092 0.0323 0.044
Schistosoma mansoni tyrosine kinase 0.0307 0.1811 0.3929
Schistosoma mansoni tyrosine kinase 0.0249 0.141 0.3058
Loa Loa (eye worm) hypothetical protein 0.0139 0.0647 0.0627
Schistosoma mansoni tyrosine kinase 0.0058 0.0086 0.0186
Loa Loa (eye worm) CDC7 protein kinase 0.02 0.1071 0.1052
Trichomonas vaginalis CMGC family protein kinase 0.0171 0.087 0.5184
Echinococcus multilocularis nervana 2 0.0076 0.0211 0.0325
Echinococcus multilocularis serine:threonine protein kinase 38 0.0055 0.0065 0.01
Schistosoma mansoni protein kinase 0.0101 0.0384 0.0833
Echinococcus multilocularis roundabout 2 0.0112 0.0462 0.0713
Trypanosoma cruzi polo-like protein kinase, putative 0.0279 0.1618 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0131 0.0592 0.0572
Entamoeba histolytica PH domain containing protein kinase, putative 0.0152 0.0737 0.2044
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0055 0.0065 0.01
Brugia malayi Protein kinase domain containing protein 0.02 0.1071 0.1052
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.014 0.0655 0.101
Brugia malayi Homeodomain interacting protein kinase protein 1 0.0565 0.3605 0.3591
Entamoeba histolytica cell division protein kinase 2, putative 0.0155 0.0759 0.2106
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0171 0.087 0.0851
Trichomonas vaginalis CAMK family protein kinase 0.0279 0.1618 1
Echinococcus granulosus Glutaredoxin protein 5 0.0076 0.0211 0.0287
Echinococcus multilocularis neuroglian 0.0096 0.0351 0.0542
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0155 0.0759 0.074
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0196 0.1046 0.1613
Echinococcus multilocularis 0.0141 0.066 0.1019
Trichomonas vaginalis CMGC family protein kinase 0.02 0.1071 0.6477
Giardia lamblia Kinase, CMGC CLK 0.0211 0.115 0.6387
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0049 0.0021 0.0033
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0279 0.1618 0.2497
Brugia malayi Fibronectin type III domain containing protein 0.0084 0.0264 0.0243
Trypanosoma cruzi cdc2-related kinase 3 0.0155 0.0759 0.4692
Echinococcus granulosus roundabout 2 0.0112 0.0462 0.0629
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0211 0.115 0.7109
Schistosoma mansoni tyrosine kinase 0.0307 0.1811 0.3929
Brugia malayi Protein kinase domain containing protein 0.071 0.4611 0.4599
Loa Loa (eye worm) hypothetical protein 0.0084 0.0264 0.0243
Loa Loa (eye worm) TK/INSR protein kinase 0.0423 0.2617 0.2601
Schistosoma mansoni protein kinase 0.0076 0.021 0.0455
Schistosoma mansoni tyrosine kinase 0.0423 0.2617 0.5676
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.1104 0.7349 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0049 0.0021 0.0029
Echinococcus granulosus tyrosine protein kinase Lyn 0.0065 0.0134 0.0182
Brugia malayi Protein kinase domain containing protein 0.0137 0.0635 0.0615
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.1486 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0211 0.115 0.2495
Echinococcus granulosus fibroblast growth factor receptor 4 0.0249 0.141 0.1919
Echinococcus multilocularis cyclin dependent kinase 1 0.0155 0.0759 0.1172
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0146 0.0694 0.4488
Loa Loa (eye worm) hypothetical protein 0.01 0.0375 0.0355
Schistosoma mansoni serine/threonine-protein kinase 0.0098 0.0366 0.0793
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0084 0.0264 0.0572
Trypanosoma cruzi cdc2-related kinase 1 0.0155 0.0759 0.4692
Schistosoma mansoni serine/threonine protein kinase 0.0155 0.0759 0.1647
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0171 0.087 0.1343
Giardia lamblia Kinase, CMGC CDK 0.0155 0.0759 0.3367
Echinococcus granulosus nervana 2 0.0076 0.0211 0.0287
Plasmodium vivax glycogen synthase kinase 3, putative 0.0171 0.087 0.6611
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0092 0.0323 0.281
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0049 0.0021 0.0033
Echinococcus multilocularis homeodomain interacting protein kinase 3 0.0565 0.3605 0.5563
Entamoeba histolytica cell division protein kinase 2, putative 0.0155 0.0759 0.2106
Giardia lamblia Kinase, CMGC CDK 0.0155 0.0759 0.3367
Loa Loa (eye worm) AGC/PKA protein kinase 0.0146 0.0694 0.0675
Brugia malayi intracellular kinase 0.0171 0.087 0.0851
Leishmania major protein kinase A catalytic subunit 0.0146 0.0694 0.4291
Echinococcus granulosus tyrosine protein kinase Fyn 0.0049 0.0021 0.0029
Onchocerca volvulus 0.0489 0.3076 0.5896
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0065 0.014
Entamoeba histolytica protein kinase, putative 0.0137 0.0635 0.1761
Plasmodium falciparum protein serine/threonine kinase-1 0.0211 0.115 1
Trichomonas vaginalis CAMK family protein kinase 0.0279 0.1618 1
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0171 0.087 0.5377
Giardia lamblia Kinase, CMGC GSK 0.0171 0.087 0.4223
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0076 0.0211 0.0287
Trichomonas vaginalis AGC family protein kinase 0.0137 0.0635 0.3669
Schistosoma mansoni serine/threonine protein kinase 0.0202 0.1084 0.2352
Schistosoma mansoni cell adhesion molecule 0.01 0.0375 0.0814
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0049 0.0021 0.0046
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0249 0.141 0.1919
Echinococcus granulosus twitchin 0.0112 0.0464 0.0631
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0049 0.0021 0.0033
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0055 0.0065 0.0044
Onchocerca volvulus Serine\/threonine kinase homolog 0.0279 0.1618 0.2
Entamoeba histolytica PH domain containing protein kinase, putative 0.0098 0.0366 0.1014
Echinococcus multilocularis Immunoglobulin 0.0084 0.0264 0.0407
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0049 0.0021 0.0029
Trichomonas vaginalis AGC family protein kinase 0.0137 0.0635 0.3669
Brugia malayi Immunoglobulin I-set domain containing protein 0.0475 0.2978 0.2963
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0146 0.0694 0.4291
Loa Loa (eye worm) hypothetical protein 0.0084 0.0264 0.0243
Brugia malayi Hr1 repeat family protein 0.0055 0.0065 0.0044
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0146 0.0694 0.0945
Trichomonas vaginalis CMGC family protein kinase 0.0211 0.115 0.6988
Onchocerca volvulus Tyrosine kinase homolog 0.0387 0.2373 0.4017
Leishmania major protein kinase A catalytic subunit isoform 1 0.0146 0.0694 0.4291
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0085 0.0271 0.0369
Schistosoma mansoni tyrosine kinase 0.0423 0.2617 0.5676
Trypanosoma brucei polo-like protein kinase 0.0279 0.1618 1
Loa Loa (eye worm) TK protein kinase 0.0261 0.1497 0.1479
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0336 0.2016 0.2743
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0211 0.115 0.7109
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.014 0.0655 0.0891
Trichomonas vaginalis CAMK family protein kinase 0.0279 0.1618 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0264 0.0243
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0249 0.141 0.2176
Trichomonas vaginalis CMGC family protein kinase 0.02 0.1071 0.6477
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0049 0.0021 0.0033
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0211 0.115 1
Echinococcus granulosus cyclin dependent kinase 0.0155 0.0759 0.1033
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0155 0.0759 0.074
Schistosoma mansoni tyrosine kinase 0.0049 0.0021 0.0046
Brugia malayi hypothetical protein 0.0084 0.0264 0.0243
Entamoeba histolytica protein kinase, putative 0.0137 0.0635 0.1761
Trichomonas vaginalis AGC family protein kinase 0.0137 0.0635 0.3669
Loa Loa (eye worm) AGC/AKT protein kinase 0.0137 0.0635 0.0615
Schistosoma mansoni serine/threonine protein kinase 0.0146 0.0694 0.1506
Giardia lamblia Kinase, CMGC GSK 0.0171 0.087 0.4223
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0171 0.087 0.0851
Echinococcus granulosus nervana 2 0.0076 0.0211 0.0287
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0084 0.0264 0.0407
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0146 0.0694 0.1072
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0196 0.1046 0.1423
Onchocerca volvulus 0.0345 0.2081 0.3238
Schistosoma mansoni serine/threonine protein kinase 0.02 0.1071 0.2323
Trypanosoma cruzi polo-like protein kinase, putative 0.0279 0.1618 1
Trichomonas vaginalis CAMK family protein kinase 0.0279 0.1618 1
Entamoeba histolytica protein kinase domain containing protein 0.0565 0.3605 1
Echinococcus multilocularis insulin receptor 0.0423 0.2617 0.4038
Schistosoma mansoni nephrin 0.0096 0.0351 0.0761
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0423 0.2617 0.4038
Echinococcus multilocularis serine:threonine protein kinase N2 0.0055 0.0065 0.01
Echinococcus granulosus tyrosine protein kinase Fyn 0.0049 0.0021 0.0029
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0202 0.1084 0.1065
Trichomonas vaginalis CMGC family protein kinase 0.0155 0.0759 0.4471
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0055 0.0065 0.01
Schistosoma mansoni tyrosine kinase 0.0049 0.0021 0.0046
Loa Loa (eye worm) hypothetical protein 0.0055 0.0065 0.0044
Brugia malayi Protein kinase domain containing protein 0.0901 0.5935 0.5926
Echinococcus granulosus Immunoglobulin 0.0084 0.0264 0.0359
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0146 0.0694 0.0675
Echinococcus granulosus neuroglian 0.0096 0.0351 0.0478
Schistosoma mansoni tyrosine kinase 0.0307 0.1811 0.3929
Schistosoma mansoni serine/threonine kinase 0.0055 0.0065 0.014
Loa Loa (eye worm) hypothetical protein 0.0084 0.0264 0.0243
Trichomonas vaginalis AGC family protein kinase 0.0061 0.0107 0.0272
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0055 0.0065 0.0044
Plasmodium falciparum glycogen synthase kinase 3 0.0171 0.087 0.7563
Schistosoma mansoni tyrosine kinase 0.0336 0.2016 0.4372
Echinococcus multilocularis CDC7 cell division cycle 7 0.02 0.1071 0.1653
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0279 0.1618 1
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0146 0.0694 0.0945
Echinococcus granulosus NDR protein kinase 0.0055 0.0065 0.0088
Echinococcus granulosus CDC7 cell division cycle 7 0.02 0.1071 0.1457
Echinococcus multilocularis rac serine:threonine kinase 0.0098 0.0366 0.0564
Toxoplasma gondii AGC kinase 0.0146 0.0694 0.6037
Echinococcus multilocularis Immunoglobulin 0.0084 0.0264 0.0407
Brugia malayi protein kinase C II. 0.0055 0.0065 0.0044
Echinococcus granulosus serine threonine protein kinase nrc 0.0092 0.0323 0.044
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0146 0.0694 0.6037
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0146 0.0694 0.1072
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0146 0.0694 0.4291
Schistosoma mansoni vesicular amine transporter 0.0084 0.0264 0.0572
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0146 0.0694 0.4291
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0155 0.0759 0.074
Brugia malayi Protein kinase domain containing protein 0.0188 0.099 0.0971
Echinococcus granulosus protein kinase 0.0076 0.021 0.0286
Trypanosoma cruzi cdc2-related kinase 1 0.0155 0.0759 0.4692
Echinococcus multilocularis cyclin dependent kinase 5 0.0155 0.0759 0.1172
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0065 0.014
Loa Loa (eye worm) hypothetical protein 0.0195 0.1038 0.1019
Loa Loa (eye worm) hypothetical protein 0.023 0.1282 0.1263
Entamoeba histolytica protein kinase domain containing protein 0.0171 0.087 0.2414
Entamoeba histolytica protein kinase, putative 0.0131 0.0592 0.1643
Trichomonas vaginalis CMGC family protein kinase 0.0171 0.087 0.5184
Loa Loa (eye worm) CAMK/PIM protein kinase 0.071 0.4611 0.4599
Echinococcus granulosus tyrosine protein kinase Src64B 0.0049 0.0021 0.0029
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0146 0.0694 0.1072
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0055 0.0065 0.0088
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0155 0.0759 0.4692
Loa Loa (eye worm) hypothetical protein 0.0085 0.0271 0.0251
Echinococcus granulosus c src tyrosine kinase 0.0049 0.0021 0.0029
Trichomonas vaginalis AGC family protein kinase 0.0137 0.0635 0.3669
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0049 0.0021 0.0029
Echinococcus multilocularis epidermal growth factor receptor 0.049 0.3082 0.4755
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0065 0.014
Echinococcus multilocularis serine threonine protein kinase 0.0055 0.0065 0.01
Echinococcus granulosus epidermal growth factor receptor 0.0336 0.2016 0.2743
Onchocerca volvulus 0.02 0.1071 0.0537
Loa Loa (eye worm) TK/ALK protein kinase 0.0291 0.1704 0.1686
Brugia malayi Serine/threonine-protein kinase Pim-3 0.071 0.4611 0.4599
Echinococcus granulosus dual specificity protein kinase clk2 0.0211 0.115 0.1565
Echinococcus granulosus rho-associated protein kinase 1 0.0489 0.3076 0.4185
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0098 0.0366 0.2259
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0171 0.087 0.1184
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0084 0.0264 0.0572
Leishmania major protein kinase A catalytic subunit isoform 2 0.0146 0.0694 0.4291
Trichomonas vaginalis CAMK family protein kinase 0.0279 0.1618 1
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0211 0.115 0.7109
Echinococcus multilocularis tyrosine protein kinase Abl 0.0049 0.0021 0.0033
Trypanosoma brucei protein kinase, putative 0.0171 0.087 0.5377
Trichomonas vaginalis CMGC family protein kinase 0.0155 0.0759 0.4471
Loa Loa (eye worm) TK/EGFR protein kinase 0.049 0.3082 0.3067
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0146 0.0694 0.4291
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0131 0.0592 0.0572
Echinococcus multilocularis Glutaredoxin protein 5 0.0076 0.0211 0.0325
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0146 0.0694 0.4291
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0155 0.0759 0.4692
Trichomonas vaginalis AGC family protein kinase 0.0137 0.0635 0.3669
Echinococcus granulosus protein kinase shaggy 0.0171 0.087 0.1184
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0049 0.0021 0.0033
Schistosoma mansoni serine/threonine protein kinase 0.0565 0.3605 0.7818
Giardia lamblia Kinase, CDC7 0.02 0.1071 0.5774
Echinococcus granulosus epidermal growth factor receptor 0.049 0.3082 0.4194
Brugia malayi Protein kinase domain containing protein 0.0055 0.0065 0.0044
Brugia malayi Protein kinase domain containing protein 0.0423 0.2617 0.2601
Schistosoma mansoni tyrosine kinase 0.0336 0.2016 0.4372
Schistosoma mansoni serine/threonine protein kinase 0.0489 0.3076 0.667
Echinococcus granulosus defective proboscis extension response 0.0084 0.0264 0.0359
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0211 0.115 0.1132
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0055 0.0065 0.01
Echinococcus multilocularis 0.0195 0.1038 0.1601
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0146 0.0694 0.6037
Echinococcus multilocularis protein kinase c epsilon type 0.0055 0.0065 0.01
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.0901 0.5935 0.5926
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.6481 1
Entamoeba histolytica protein kinase 2, putative 0.0092 0.0323 0.0897
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0171 0.087 0.1887
Echinococcus granulosus protein kinase c epsilon type 0.0055 0.0065 0.0088
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0171 0.087 0.5377
Echinococcus granulosus serine:threonine protein kinase N2 0.0055 0.0065 0.0088
Brugia malayi Protein kinase domain containing protein 0.0211 0.115 0.1132
Trypanosoma cruzi cdc2-related kinase 3 0.0155 0.0759 0.4692
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0146 0.0694 0.4291
Trichomonas vaginalis CAMK family protein kinase 0.0279 0.1618 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0146 0.0694 0.1072
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0211 0.115 0.7109
Loa Loa (eye worm) hypothetical protein 0.0084 0.0264 0.0243
Schistosoma mansoni atypical protein kinase C 0.0055 0.0065 0.014
Echinococcus multilocularis epidermal growth factor receptor 0.0336 0.2016 0.3111
Brugia malayi Immunoglobulin I-set domain containing protein 0.0084 0.0264 0.0243
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0049 0.0021 0.0033
Echinococcus granulosus insulin receptor 0.0423 0.2617 0.3561
Loa Loa (eye worm) AGC/PKN protein kinase 0.0055 0.0065 0.0044
Plasmodium falciparum protein kinase 5 0.0155 0.0759 0.66
Trypanosoma brucei cdc2-related kinase 1 0.0155 0.0759 0.4692
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0155 0.0759 0.66
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0065 0.014
Leishmania major protein kinase, putative 0.0211 0.115 0.7109
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0092 0.0323 0.1998
Onchocerca volvulus 0.02 0.1071 0.0537
Schistosoma mansoni tyrosine kinase 0.0049 0.0021 0.0046
Echinococcus multilocularis nervana 2 0.0076 0.0211 0.0325
Brugia malayi probable protein kinase 0.0101 0.0384 0.0363
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0055 0.0065 0.0044
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0423 0.2617 0.3561
Schistosoma mansoni serine/threonine-protein kinase 0.0098 0.0366 0.0793
Echinococcus multilocularis rho associated protein kinase 0.0489 0.3076 0.4746
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0171 0.087 0.7563
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0146 0.0694 0.0945
Echinococcus granulosus protein kinase c iota type 0.0055 0.0065 0.0088
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0049 0.0021 0.0033
Echinococcus multilocularis protein kinase c iota type 0.0055 0.0065 0.01
Brugia malayi cell division control protein 2 homolog 0.0155 0.0759 0.074
Plasmodium vivax serine/threonine kinase-1, putative 0.0211 0.115 1
Trichomonas vaginalis AGC family protein kinase 0.0146 0.0694 0.4053
Echinococcus multilocularis protein kinase shaggy 0.0171 0.087 0.1343
Toxoplasma gondii AGC kinase 0.0146 0.0694 0.6037
Loa Loa (eye worm) hypothetical protein 0.0146 0.0694 0.0675
Entamoeba histolytica PH domain containing protein kinase, putative 0.0098 0.0366 0.1014
Schistosoma mansoni tyrosine kinase 0.0049 0.0021 0.0046
Plasmodium vivax protein kinase Crk2 0.0155 0.0759 0.5272
Schistosoma mansoni tyrosine kinase 0.0185 0.097 0.2104
Trypanosoma brucei rac serine-threonine kinase, putative 0.0137 0.0635 0.3922
Entamoeba histolytica protein kinase, putative 0.0055 0.0065 0.018
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0146 0.0694 0.4291
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase 0.0565 0.3605 0.3591
Brugia malayi Protein kinase domain containing protein 0.0291 0.1704 0.1687
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0049 0.0021 0.0033
Brugia malayi Protein kinase domain containing protein 0.0155 0.0759 0.074
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0065 0.014
Trichomonas vaginalis CAMK family protein kinase 0.012 0.0513 0.2886
Schistosoma mansoni serine/threonine protein kinase 0.0279 0.1618 0.351
Onchocerca volvulus 0.0472 0.2963 0.5595
Giardia lamblia Kinase, PLK 0.0279 0.1618 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0055 0.0065 0.0044
Loa Loa (eye worm) hypothetical protein 0.0084 0.0264 0.0243
Leishmania major protein kinase, putative 0.0211 0.115 0.7109

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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) 14.575 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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