Detailed information for compound 845505

Basic information

Technical information
  • TDR Targets ID: 845505
  • Name: ethyl 2-[1-(4,5-dimethyl-2-pyrrol-1-ylthiophe n-3-yl)ethylcarbamoylamino]benzoate
  • MW: 411.517 | Formula: C22H25N3O3S
  • H donors: 2 H acceptors: 2 LogP: 4.77 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccccc1NC(=O)NC(c1c(sc(c1C)C)n1cccc1)C
  • InChi: 1S/C22H25N3O3S/c1-5-28-21(26)17-10-6-7-11-18(17)24-22(27)23-15(3)19-14(2)16(4)29-20(19)25-12-8-9-13-25/h6-13,15H,5H2,1-4H3,(H2,23,24,27)
  • InChiKey: JIBGJORHXCLWIX-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 2-[1-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)ethylcarbamoylamino]benzoate
  • 2-[[[1-[4,5-dimethyl-2-(1-pyrrolyl)-3-thienyl]ethylamino]-oxomethyl]amino]benzoic acid ethyl ester
  • 2-[1-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)ethylcarbamoylamino]benzoic acid ethyl ester
  • ethyl 2-[1-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)ethylcarbamoylamino]benzoate
  • C794-0988
  • NCGC00113343-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0784 0.1209
Echinococcus granulosus insulin growth factor 1 receptor beta 0.014 0.2721 0.5258
Echinococcus granulosus plexin a4 0.002 0.0174 0.0328
Brugia malayi Plexin repeat family protein 0.0017 0.0108 0.0113
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.1758 0.3394
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0253 0.5142 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0024 0.0249 0.0472
Loa Loa (eye worm) hypothetical protein 0.0014 0.0041 0.0037
Brugia malayi Protein kinase domain containing protein 0.0258 0.5234 0.8825
Echinococcus granulosus insulin receptor 0.0135 0.2621 0.5063
Loa Loa (eye worm) NEK/NEK6 protein kinase 0.0206 0.4128 0.4126
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0249 0.0481
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0023 0.024 0.0361
Loa Loa (eye worm) histone deacetylase 0.023 0.4642 0.464
Echinococcus multilocularis histone deacetylase 1 0.0253 0.5142 0.9941
Schistosoma mansoni tyrosine kinase 0.0058 0.0972 0.1879
Toxoplasma gondii AGC kinase 0.0044 0.0678 0.0435
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0058 0.0983 0.1812
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0096 0.1783 0.1924
Echinococcus granulosus tyrosine protein kinase Fyn 0.0043 0.0666 0.128
Echinococcus granulosus tyrosine protein kinase Blk 0.004 0.0589 0.1132
Brugia malayi Histone deacetylase family protein 0.023 0.4642 0.7819
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0024 0.0249 0.0472
Brugia malayi Furin-like cysteine rich region family protein 0.0065 0.1125 0.1842
Echinococcus multilocularis histone deacetylase 7 0.023 0.4642 0.8966
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0159 0.314 0.3136
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0043 0.0666 0.128
Brugia malayi Histone deacetylase family protein 0.023 0.4642 0.7819
Echinococcus granulosus serine/threonine protein kinase 0.0025 0.0283 0.0539
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1758 0.2404
Echinococcus multilocularis Glutaredoxin protein 5 0.002 0.0176 0.0235
Echinococcus granulosus NDR protein kinase 0.0024 0.0249 0.0472
Echinococcus multilocularis serine:threonine protein kinase N2 0.0024 0.0249 0.0378
Echinococcus multilocularis protein tyrosine kinase 0.0255 0.5172 1
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1783 0.3225
Schistosoma mansoni tyrosine kinase 0.0135 0.2621 0.5068
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.1065 0.2052
Loa Loa (eye worm) histone deacetylase 3 0.0253 0.5142 0.5139
Entamoeba histolytica protein kinase, putative 0.0046 0.0721 0.0981
Schistosoma mansoni tyrosine kinase 0.0065 0.1125 0.2176
Brugia malayi plexin A 0.002 0.0174 0.0226
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0043 0.0666 0.1194
Echinococcus multilocularis aurora kinase A 0.0058 0.0983 0.1812
Echinococcus multilocularis roundabout 2 0.0019 0.0155 0.0194
Trypanosoma cruzi histone deacetylase, putative 0.023 0.4642 0.8981
Schistosoma mansoni tyrosine kinase 0.0043 0.0666 0.1288
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.1783 0.3447
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0043 0.0666 0.1194
Toxoplasma gondii histone deacetylase HDAC1 0.023 0.4642 0.7661
Toxoplasma gondii histone deacetylase HDAC3 0.0253 0.5142 0.8571
Brugia malayi SRC-1 0.0043 0.0666 0.1062
Loa Loa (eye worm) hypothetical protein 0.0117 0.2236 0.2232
Echinococcus multilocularis serine threonine protein kinase 0.0024 0.0249 0.0378
Echinococcus multilocularis plexin a4 0.002 0.0174 0.0232
Schistosoma mansoni tyrosine kinase 0.0255 0.5172 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.1065 0.5
Brugia malayi p70 ribosomal S6 kinase beta 0.0044 0.0678 0.1082
Echinococcus granulosus histone deacetylase 6 0.023 0.4642 0.8976
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0096 0.1783 0.3376
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1758 0.5
Echinococcus granulosus protein tyrosine kinase 0.0255 0.5172 1
Echinococcus granulosus MAM 0.0028 0.0336 0.0642
Trichomonas vaginalis histone deacetylase, putative 0.0253 0.5142 1
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0249 0.013
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0253 0.5142 1
Trypanosoma brucei aurora B kinase 0.0058 0.0983 0.0592
Schistosoma mansoni tyrosine kinase 0.0135 0.2621 0.5068
Schistosoma mansoni serine/threonine protein kinase 0.0159 0.314 0.6071
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0439 0.0351
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0043 0.0666 0.1194
Schistosoma mansoni tyrosine kinase 0.0065 0.1125 0.2176
Loa Loa (eye worm) hypothetical protein 0.0017 0.0108 0.0103
Schistosoma mansoni histone deacetylase 4 5 0.023 0.4642 0.8977
Loa Loa (eye worm) AGC/PKN protein kinase 0.015 0.295 0.2946
Plasmodium vivax histone deacetylase, putative 0.023 0.4642 0.7743
Echinococcus granulosus protein kinase C gamma type 0.0024 0.0249 0.0472
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.1758 1
Brugia malayi protein-tyrosine kinase 0.004 0.0589 0.0931
Toxoplasma gondii histone deacetylase HDAC5 0.0119 0.2282 0.3359
Schistosoma mansoni tyrosine kinase 0.0058 0.0972 0.1879
Brugia malayi histone deacetylase 3 (HD3) 0.0253 0.5142 0.8668
Loa Loa (eye worm) hypothetical protein 0.0094 0.1758 0.1754
Giardia lamblia Kinase, PLK 0.0096 0.1783 0.3148
Echinococcus multilocularis histone deacetylase 6 0.023 0.4642 0.8966
Echinococcus granulosus protein kinase c iota type 0.0024 0.0249 0.0472
Echinococcus granulosus tyrosine protein kinase Src64B 0.0043 0.0666 0.128
Plasmodium falciparum histone deacetylase 2 0.023 0.4642 0.8981
Echinococcus granulosus tyrosine protein kinase Src42A 0.0043 0.0666 0.128
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0721 0.1083
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.1065 0.4744
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0024 0.0249 0.0244
Echinococcus granulosus histone deacetylase 8 0.0119 0.2282 0.4408
Brugia malayi Serine/threonine-protein kinase Nek7 0.0206 0.4128 0.6945
Schistosoma mansoni kinase 0.005 0.081 0.1566
Echinococcus granulosus protein kinase c epsilon type 0.0024 0.0249 0.0472
Onchocerca volvulus Histone deacetylase 10 homolog 0.0119 0.2282 0.7172
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.1783 0.3148
Schistosoma mansoni serine/threonine-protein kinase 0.0025 0.0283 0.0547
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.1065 0.5
Plasmodium falciparum histone deacetylase, putative 0.023 0.4642 0.8981
Loa Loa (eye worm) TK protein kinase 0.004 0.0589 0.0585
Brugia malayi histone deacetylase 1 (HD1) 0.0253 0.5142 0.8668
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0159 0.314 0.6067
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0784 0.1209
Entamoeba histolytica PH domain containing protein kinase, putative 0.0025 0.0283 0.0088
Echinococcus multilocularis epidermal growth factor receptor 0.0065 0.1125 0.2091
Schistosoma mansoni serine/threonine protein kinase 0.015 0.295 0.5704
Trypanosoma cruzi histone deacetylase 1, putative 0.0253 0.5142 1
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0721 0.1083
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0159 0.314 0.6028
Trypanosoma brucei histone deacetylase, putative 0.023 0.4642 0.8871
Entamoeba histolytica protein kinase , putative 0.0058 0.0983 0.1515
Loa Loa (eye worm) plexin A 0.002 0.0174 0.017
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0249 0.0481
Echinococcus granulosus histone deacetylase 3 0.0253 0.5142 0.9942
Onchocerca volvulus Serine\/threonine kinase homolog 0.0096 0.1783 0.5525
Plasmodium vivax histone deacetylase 1, putative 0.0253 0.5142 0.8621
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1758 1
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1783 0.3225
Entamoeba histolytica protein kinase, putative 0.0058 0.0983 0.1515
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1783 0.3225
Echinococcus granulosus tyrosine kinase 0.004 0.0589 0.1132
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.002 0.0176 0.0331
Loa Loa (eye worm) SRC-1 0.0043 0.0666 0.0662
Echinococcus multilocularis rac serine:threonine kinase 0.0025 0.0283 0.0445
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1758 0.3098
Echinococcus multilocularis epidermal growth factor receptor 0.0065 0.1125 0.2091
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1783 0.3225
Trypanosoma brucei polo-like protein kinase 0.0096 0.1783 0.2402
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0025 0.0283 0.0088
Schistosoma mansoni tyrosine kinase 0.0065 0.1125 0.2176
Entamoeba histolytica protein kinase, putative 0.0058 0.0983 0.1515
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0043 0.0666 0.1194
Loa Loa (eye worm) histone deacetylase 11 0.029 0.5925 0.5924
Echinococcus granulosus nervana 2 0.002 0.0176 0.0331
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0024 0.0249 0.0378
Echinococcus granulosus tyrosine protein kinase Lyn 0.0046 0.0731 0.1405
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0159 0.314 1
Brugia malayi histone deacetylase 11 0.029 0.5925 1
Schistosoma mansoni serine/threonine protein kinase 0.0206 0.4128 0.7982
Echinococcus granulosus serine:threonine protein kinase N2 0.0127 0.2447 0.4727
Echinococcus multilocularis histone deacetylase 0.023 0.4642 0.8966
Echinococcus granulosus histone deacetylase 0.023 0.4642 0.8976
Echinococcus multilocularis histone deacetylase 3 0.0253 0.5142 0.9941
Leishmania major histone deacetylase, putative 0.0253 0.5142 1
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0058 0.0983 0.1515
Loa Loa (eye worm) AGC/AKT protein kinase 0.0046 0.0721 0.0717
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0096 0.1783 0.3441
Trichomonas vaginalis STE family protein kinase 0.0104 0.196 0.3582
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0249 0.0481
Toxoplasma gondii aurora kinase 0.0058 0.0983 0.099
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0439 0.0407
Echinococcus granulosus histone deacetylase 1 0.0253 0.5142 0.9942
Trypanosoma brucei histone deacetylase 2 0.0119 0.2282 0.3532
Schistosoma mansoni hypothetical protein 0.0028 0.0336 0.065
Entamoeba histolytica protein kinase, putative 0.0046 0.0721 0.0981
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0721 0.1083
Echinococcus multilocularis nervana 2 0.002 0.0176 0.0235
Echinococcus multilocularis serine:threonine protein kinase N2 0.015 0.295 0.5657
Loa Loa (eye worm) thyroid receptor interactor 0.0074 0.1318 0.1314
Loa Loa (eye worm) TK/EGFR protein kinase 0.0065 0.1125 0.1121
Loa Loa (eye worm) hypothetical protein 0.0014 0.0054 0.005
Echinococcus multilocularis histone deacetylase 6 0.0236 0.4772 0.9218
Trypanosoma brucei histone deacetylase 3 0.023 0.4642 0.8871
Onchocerca volvulus 0.0136 0.2637 0.8343
Schistosoma mansoni protein kinase 0.0058 0.0983 0.19
Schistosoma mansoni hypothetical protein 0.0028 0.0336 0.065
Trypanosoma cruzi histone deacetylase, putative 0.023 0.4642 0.8981
Chlamydia trachomatis serine/threonine protein kinase 0.0206 0.4128 1
Echinococcus multilocularis insulin receptor 0.0135 0.2621 0.5014
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0058 0.0983 0.1306
Brugia malayi Hr1 repeat family protein 0.015 0.295 0.4943
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0253 0.5142 1
Loa Loa (eye worm) TK protein kinase 0.0036 0.051 0.0506
Trichomonas vaginalis AGC family protein kinase 0.0058 0.0983 0.1611
Entamoeba histolytica histone deacetylase, putative 0.0253 0.5142 1
Echinococcus granulosus histone deacetylase 7 0.023 0.4642 0.8976
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0015 0.0055 0.0107
Echinococcus multilocularis protein kinase c iota type 0.0024 0.0249 0.0378
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.0666 0.1194
Leishmania major histone deacetylase, putative 0.023 0.4642 0.88
Echinococcus granulosus twitchin 0.0015 0.0055 0.0098
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0721 0.1083
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0032 0.0436 0.0744
Leishmania major histone deacetylase, putative 0.0253 0.5142 1
Trichomonas vaginalis AGC family protein kinase 0.0058 0.0983 0.1611
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0024 0.0249 0.0472
Echinococcus multilocularis MAM 0.0028 0.0336 0.0549
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0024 0.0249 0.0472
Toxoplasma gondii NIMA-related protein kinase NIMA1 0.0104 0.196 0.2772
Trichomonas vaginalis AGC family protein kinase 0.0104 0.196 0.3582
Brugia malayi Protein kinase domain containing protein 0.0046 0.0721 0.1155
Schistosoma mansoni tyrosine kinase 0.0013 0.0013 0.0025
Loa Loa (eye worm) hypothetical protein 0.0014 0.0041 0.0037
Brugia malayi Protein kinase domain containing protein 0.0135 0.2621 0.4384
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0043 0.0666 0.1194
Loa Loa (eye worm) hypothetical protein 0.0204 0.4083 0.408
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0043 0.0666 0.1194
Onchocerca volvulus 0.0032 0.0437 0.1084
Schistosoma mansoni serine/threonine kinase 0.0024 0.0249 0.0481
Echinococcus multilocularis tyrosine protein kinase HCK 0.0036 0.051 0.0889
Brugia malayi serine/threonine kinase 12 0.0058 0.0983 0.16
Echinococcus granulosus tyrosine protein kinase Fyn 0.0043 0.0666 0.128
Echinococcus granulosus aurora kinase A 0.0058 0.0983 0.1893
Loa Loa (eye worm) AGC/NDR protein kinase 0.0024 0.0249 0.0244
Brugia malayi serine/threonine-protein kinase plk-2 0.0096 0.1783 0.296
Loa Loa (eye worm) TK/ALK protein kinase 0.0238 0.4827 0.4824
Trypanosoma cruzi histone deacetylase, putative 0.0119 0.2282 0.4167
Leishmania major histone deacetylase, putative 0.023 0.4642 0.88
Brugia malayi serine/threonine-protein kinase 6 0.0058 0.0983 0.16
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0249 0.013
Schistosoma mansoni histone deacetylase 1 2 3 0.0119 0.2282 0.4413
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0292 0.0217
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0058 0.0983 0.1893
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.004 0.0589 0.1132
Echinococcus multilocularis serine:threonine protein kinase 38 0.0024 0.0249 0.0378
Plasmodium vivax histone deacetylase 2, putative 0.023 0.4642 0.7743
Loa Loa (eye worm) hypothetical protein 0.0028 0.0336 0.0332
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0024 0.0249 0.0244
Schistosoma mansoni nephrin 0.0016 0.0091 0.0176
Echinococcus granulosus nervana 2 0.002 0.0176 0.0331
Plasmodium vivax histone deacetylase, putative 0.029 0.5925 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0013 0.0024 0.002
Echinococcus granulosus roundabout 2 0.0019 0.0155 0.0291
Loa Loa (eye worm) TK/INSR protein kinase 0.0135 0.2621 0.2617
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.1758 0.5
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.002 0.0176 0.0235
Echinococcus multilocularis tyrosine protein kinase Srms 0.004 0.0589 0.1044
Trypanosoma brucei histone deacetylase 1 0.0253 0.5142 1
Entamoeba histolytica protein kinase, putative 0.0024 0.0249 0.0018
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1783 0.3225
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1758 0.5
Trypanosoma cruzi histone deacetylase, putative 0.023 0.4642 0.8981
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0058 0.0983 0.1515
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0159 0.314 0.3136
Loa Loa (eye worm) hypothetical protein 0.0014 0.0054 0.005
Echinococcus granulosus Glutaredoxin protein 5 0.002 0.0176 0.0331
Brugia malayi Protein kinase domain containing protein 0.0239 0.4828 0.8135
Echinococcus multilocularis histone deacetylase 6 0.023 0.4642 0.8966
Loa Loa (eye worm) hypothetical protein 0.0119 0.2282 0.2279
Schistosoma mansoni histone deacetylase 0.0253 0.5142 0.9942
Brugia malayi Immunoglobulin I-set domain containing protein 0.0155 0.3049 0.5112
Trichomonas vaginalis histone deacetylase, putative 0.0253 0.5142 1
Schistosoma mansoni tyrosine kinase 0.0043 0.0666 0.1288
Loa Loa (eye worm) hypothetical protein 0.0028 0.0336 0.0332
Giardia lamblia Kinase, NEK 0.0104 0.196 0.3509
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.1758 0.34
Echinococcus granulosus tyrosine protein kinase HCK 0.0036 0.051 0.0979
Loa Loa (eye worm) hypothetical protein 0.0014 0.0041 0.0037
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0721 0.1083
Schistosoma mansoni plexin 0.0017 0.0108 0.0209
Toxoplasma gondii histone deacetylase HDAC2 0.0253 0.5142 0.8571
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0024 0.0249 0.0378
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0249 0.013
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.1065 0.1973
Brugia malayi Protein kinase domain containing protein 0.0024 0.0249 0.0352
Echinococcus multilocularis histone deacetylase 8 0.0119 0.2282 0.4353
Loa Loa (eye worm) hypothetical protein 0.0171 0.3389 0.3386
Entamoeba histolytica protein kinase, putative 0.0044 0.0678 0.0894
Entamoeba histolytica serine/threonine protein kinase, putative 0.0096 0.1783 0.3148
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0096 0.1783 0.1779
Brugia malayi Tyrosine-protein kinase abl-1 0.0015 0.0055 0.0024
Loa Loa (eye worm) histone deacetylase 1 0.0253 0.5142 0.5139
Brugia malayi Fes/CIP4 homology domain containing protein 0.0074 0.1318 0.217
Loa Loa (eye worm) hypothetical protein 0.0111 0.2106 0.2103
Trypanosoma cruzi Protein kinase B 0.0025 0.0283 0.0088
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.1758 0.267
Echinococcus granulosus epidermal growth factor receptor 0.0065 0.1125 0.2169
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0249 0.0481
Brugia malayi serine/threonine protein kinase 6 0.0058 0.0983 0.16
Plasmodium falciparum serine/threonine protein kinase, putative 0.0058 0.0983 0.1515
Echinococcus granulosus tyrosine protein kinase Src42A 0.0032 0.0436 0.0835
Loa Loa (eye worm) AUR protein kinase 0.0058 0.0983 0.0978
Brugia malayi Protein kinase domain containing protein 0.0024 0.0249 0.0352
Brugia malayi Protein kinase domain containing protein 0.0159 0.314 0.5265
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0589 0.1044
Trypanosoma cruzi histone deacetylase, putative 0.0119 0.2282 0.4167
Brugia malayi hypothetical protein 0.0028 0.0336 0.0501
Giardia lamblia Histone deacetylase 0.0253 0.5142 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0015 0.0055 0.0098
Loa Loa (eye worm) hypothetical protein 0.0024 0.0249 0.0244
Loa Loa (eye worm) hypothetical protein 0.007 0.1242 0.1238
Brugia malayi Probable ClpP-like protease 0.0094 0.1758 0.2918
Echinococcus granulosus epidermal growth factor receptor 0.0065 0.1125 0.2169
Loa Loa (eye worm) AUR protein kinase 0.0058 0.0983 0.0978
Giardia lamblia Aurora kinase 0.0058 0.0983 0.1515
Schistosoma mansoni histone deacetylase 4 5 0.023 0.4642 0.8977
Echinococcus granulosus serine:threonine protein kinase N2 0.015 0.295 0.57
Onchocerca volvulus 0.0028 0.0336 0.0753
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0023 0.024 0.0455
Schistosoma mansoni histone deacetylase hda2 0.0236 0.4772 0.9227
Plasmodium falciparum NIMA related kinase 1 0.0104 0.196 0.3509
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0024 0.0249 0.0244
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0249 0.0481
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0159 0.314 0.5265
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1758 0.2404
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0024 0.0249 0.0244
Loa Loa (eye worm) TK/FAK protein kinase 0.0258 0.5234 0.5232
Echinococcus multilocularis tyrosine protein kinase Blk 0.004 0.0589 0.1044
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1783 0.3225
Toxoplasma gondii histone deacetylase HDAC4 0.029 0.5925 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0127 0.2447 0.4675
Trichomonas vaginalis histone deacetylase, putative 0.0253 0.5142 1
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0249 0.0481
Trypanosoma cruzi histone deacetylase 1, putative 0.0253 0.5142 1
Echinococcus granulosus histone deacetylase 6 0.0236 0.4772 0.9226
Trichomonas vaginalis histone deacetylase, putative 0.0253 0.5142 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0336 0.0332
Onchocerca volvulus Tyrosine kinase homolog 0.0145 0.2841 0.9014
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0024 0.0249 0.0378
Loa Loa (eye worm) AUR protein kinase 0.0058 0.0983 0.0978
Schistosoma mansoni histone deacetylase hda2 0.0119 0.2282 0.4413
Schistosoma mansoni tyrosine kinase 0.0015 0.0055 0.0107
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0721 0.1083
Giardia lamblia Kinase, NEK 0.0104 0.196 0.3509
Schistosoma mansoni histone deacetylase 0.0253 0.5142 0.9942
Loa Loa (eye worm) hypothetical protein 0.0253 0.5142 0.5139
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.0983 0.19
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0044 0.0678 0.0674
Schistosoma mansoni serine/threonine-protein kinase 0.0025 0.0283 0.0547
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1783 0.3225
Trichomonas vaginalis AGC family protein kinase 0.0058 0.0983 0.1611
Trichomonas vaginalis histone deacetylase, putative 0.0253 0.5142 1
Trypanosoma brucei histone deacetylase 4 0.023 0.4642 0.8871
Echinococcus granulosus serine threonine protein kinase nrc 0.0023 0.024 0.0455
Entamoeba histolytica protein kinase, putative 0.0036 0.051 0.0552
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0155 0.3049 0.3046
Echinococcus granulosus c src tyrosine kinase 0.0015 0.0055 0.0098
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0065 0.1125 0.2169
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0024 0.0249 0.0378
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0043 0.0666 0.128
Loa Loa (eye worm) histone deacetylase 7A 0.023 0.4642 0.464
Brugia malayi protein kinase C II. 0.0024 0.0249 0.0352
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0721 0.1083
Plasmodium vivax NIMA-related protein kinase (Pfnek-1), putative 0.0104 0.196 0.3026
Brugia malayi Histone deacetylase 1 0.0253 0.5142 0.8668
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0058 0.0983 0.1515
Echinococcus granulosus histone deacetylase 6 0.023 0.4642 0.8976
Trichomonas vaginalis AGC family protein kinase 0.0058 0.0983 0.1611
Entamoeba histolytica protein kinase domain containing protein 0.0058 0.0983 0.1515
Echinococcus granulosus tyrosine protein kinase Fyn 0.0043 0.0666 0.128
Echinococcus multilocularis 0.0017 0.0105 0.0096
Brugia malayi Protein kinase domain containing protein 0.0077 0.1395 0.23
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.1758 0.3328
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.014 0.2721 0.521
Trypanosoma cruzi aurora B kinase, putative 0.0058 0.0983 0.1515
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.1783 0.3148
Schistosoma mansoni cell adhesion molecule 0.0017 0.0105 0.0203
Echinococcus multilocularis protein kinase c epsilon type 0.0024 0.0249 0.0378
Plasmodium falciparum histone deacetylase 1 0.0253 0.5142 1
Giardia lamblia Kinase, NEK 0.0104 0.196 0.3509
Schistosoma mansoni tyrosine kinase 0.0058 0.0972 0.1879
Schistosoma mansoni atypical protein kinase C 0.0024 0.0249 0.0481
Schistosoma mansoni tyrosine kinase 0.0015 0.0055 0.0107
Entamoeba histolytica PH domain containing protein kinase, putative 0.0025 0.0283 0.0088
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.0666 0.1194
Echinococcus multilocularis nervana 2 0.002 0.0176 0.0235
Trichomonas vaginalis histone deacetylase, putative 0.0253 0.5142 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.0666 0.1194

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 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) 100 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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