Detailed information for compound 1457212

Basic information

Technical information
  • TDR Targets ID: 1457212
  • Name: 2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo -2-sulfanylideneimidazolidin-4-yl]-N-(4-metho xyphenyl)acetamide
  • MW: 441.543 | Formula: C23H27N3O4S
  • H donors: 1 H acceptors: 2 LogP: 3.03 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CCN1C(=S)N(C(=O)C1CC(=O)Nc1ccc(cc1)OC)CC
  • InChi: 1S/C23H27N3O4S/c1-4-25-22(28)20(15-21(27)24-17-7-11-19(30-3)12-8-17)26(23(25)31)14-13-16-5-9-18(29-2)10-6-16/h5-12,20H,4,13-15H2,1-3H3,(H,24,27)
  • InChiKey: DLNNYXZKPOLYDU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxo-imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
  • 2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-methoxyphenyl)acetamide
  • 2-[1-ethyl-5-keto-3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
  • 2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-imidazolidin-4-yl]-N-(4-methoxyphenyl)ethanamide
  • SMR000280660
  • ST5302346
  • Oprea1_460019
  • BAS 02280201
  • MLS000710893

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Trypanosoma brucei methionyl-tRNA synthetase, putative Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Candida albicans mitochondrial tRNA methionyl-tRNA synthetase similar to S. cerevisiae MSM1 (YGR171C) mitochondrial methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Theileria parva methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Trypanosoma brucei methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K01874 methionyl-tRNA synthetase [EC6.1.1.10], putative Get druggable targets OG5_127468 All targets in OG5_127468
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus methionine tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Mycobacterium ulcerans methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania major methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax methionine--tRNA ligase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Leishmania donovani methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans mitochondrial tRNA methionyl-tRNA synthetase similar to S. cerevisiae MSM1 (YGR171C) mitochondrial methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Mycobacterium leprae Probable methionyl-tRNA synthase MetS Get druggable targets OG5_127468 All targets in OG5_127468
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Onchocerca volvulus Get druggable targets OG5_127468 All targets in OG5_127468
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis methionine-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Plasmodium berghei methionine--tRNA ligase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi methionine--tRNA ligase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Brugia malayi methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei gambiense methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Cryptosporidium parvum methionyl-tRNA synthetase of possible bacterial origin Get druggable targets OG5_127468 All targets in OG5_127468
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium yoelii methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Babesia bovis methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis methionine tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Trypanosoma cruzi methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni methionine-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum methionine--tRNA ligase Get druggable targets OG5_127468 All targets in OG5_127468
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Cryptosporidium hominis methionine -- tRNA ligase Get druggable targets OG5_127468 All targets in OG5_127468
Loa Loa (eye worm) tyrosyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Neospora caninum Methionine--tRNA ligase (EC 6.1.1.10), related Get druggable targets OG5_127468 All targets in OG5_127468
Trypanosoma congolense methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) PHD-finger family protein 0.0027 0.017 0.0325
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0034 0.0237 1
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0151 0.259
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0066 0.0575 0.8556
Schistosoma mansoni cpg binding protein 0.0037 0.0268 0.0235
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8494 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0027 0.017 0.02
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0066 0.0575 0.11
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0646 1
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0391 0.5054
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0381 0.0448
Leishmania major leucyl-tRNA synthetase, putative 0.0025 0.0151 0.2105
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0027 0.017 0.0119
Toxoplasma gondii tRNA ligases class I (M) protein 0.0025 0.0151 0.0392
Brugia malayi PHD-finger family protein 0.0027 0.017 0.0322
Brugia malayi RNA binding protein 0.0517 0.5225 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0025 0.0151 0.0178
Schistosoma mansoni alpha-glucosidase 0.0131 0.1239 0.1388
Loa Loa (eye worm) hypothetical protein 0.015 0.1443 0.2762
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0043 0.0329 0.0628
Trichomonas vaginalis alpha-glucosidase, putative 0.0034 0.0237 0.3927
Echinococcus granulosus jumonji domain containing protein 0.0038 0.028 0.0329
Echinococcus multilocularis jumonji domain containing protein 0.0038 0.028 0.028
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0646 0.0646
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0041 0.0313 0.0599
Loa Loa (eye worm) hypothetical protein 0.0061 0.0521 0.0997
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0646 1
Plasmodium falciparum methionine--tRNA ligase 0.0066 0.0575 1
Brugia malayi methionyl-tRNA synthetase 0.0066 0.0575 0.1098
Schistosoma mansoni jumonji domain containing protein 0.0023 0.0131 0.0072
Loa Loa (eye worm) hypothetical protein 0.0148 0.1417 0.2711
Schistosoma mansoni jumonji domain containing protein 0.0126 0.1185 0.1324
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0043 0.0329 0.063
Echinococcus granulosus peregrin 0.0027 0.017 0.02
Schistosoma mansoni tar DNA-binding protein 0.0517 0.5225 0.612
Echinococcus multilocularis lysine specific demethylase 6a 0.0023 0.0131 0.0131
Onchocerca volvulus Huntingtin homolog 0.0148 0.1417 0.7886
Echinococcus granulosus dnaJ subfamily B 0.0494 0.4989 0.5874
Echinococcus multilocularis tar DNA binding protein 0.0517 0.5225 0.5225
Leishmania major hypothetical protein, conserved 0.0023 0.0131 0.1783
Plasmodium falciparum JmjC domain-containing protein, putative 0.0023 0.0131 0.2237
Schistosoma mansoni hypothetical protein 0.0048 0.0381 0.0369
Brugia malayi hypothetical protein 0.0148 0.1417 0.271
Chlamydia trachomatis leucine--tRNA ligase 0.0025 0.0151 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0034 0.0237 0.0451
Echinococcus multilocularis PHD finger protein rhinoceros 0.0027 0.017 0.017
Schistosoma mansoni methionine-tRNA synthetase 0.0025 0.0151 0.0096
Plasmodium vivax hypothetical protein, conserved 0.0027 0.017 0.292
Schistosoma mansoni hypothetical protein 0.0048 0.0381 0.0369
Brugia malayi Isocitrate dehydrogenase 0.0049 0.0391 0.0746
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0391 0.0391
Chlamydia trachomatis methionine--tRNA ligase 0.0025 0.0151 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0034 0.0237 0.3927
Brugia malayi jmjC domain containing protein 0.0023 0.0131 0.0248
Loa Loa (eye worm) RNA binding protein 0.0517 0.5225 1
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0066 0.0575 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0391 0.0391
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0646 1
Echinococcus multilocularis jumonji domain containing 1A 0.0023 0.0131 0.0131
Echinococcus multilocularis lysine specific demethylase 5A 0.0088 0.0795 0.0795
Loa Loa (eye worm) jmjC domain-containing protein 0.0023 0.0131 0.025
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0237 0.3927
Loa Loa (eye worm) TAR-binding protein 0.0517 0.5225 1
Treponema pallidum methionyl-tRNA synthetase 0.0025 0.0151 0.5
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0025 0.0151 0.6051
Leishmania major methionyl-tRNA synthetase, putative 0.0066 0.0575 0.886
Giardia lamblia PHD finger protein 15 0.0027 0.017 0.0445
Echinococcus granulosus GPCR family 2 0.0048 0.0381 0.0448
Schistosoma mansoni tar DNA-binding protein 0.0517 0.5225 0.612
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.1443 0.276
Echinococcus multilocularis lysosomal alpha glucosidase 0.0152 0.1457 0.1457
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.009 0.017
Trichomonas vaginalis alpha-glucosidase, putative 0.0034 0.0237 0.3927
Loa Loa (eye worm) hypothetical protein 0.0025 0.0151 0.0289
Brugia malayi Glycosyl hydrolases family 31 protein 0.0152 0.1457 0.2787
Schistosoma mansoni hypothetical protein 0.0494 0.4989 0.584
Brugia malayi jmjC domain containing protein 0.0144 0.1374 0.2628
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0329 0.0388
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8494 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0381 0.0381
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0023 0.0131 0.2013
Trichomonas vaginalis maltase-glucoamylase, putative 0.0034 0.0237 0.3927
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0381 0.0727
Brugia malayi methionyl-tRNA synthetase 0.0025 0.0151 0.0286
Loa Loa (eye worm) jmjC domain-containing protein 0.009 0.0815 0.156
Echinococcus multilocularis GPCR, family 2 0.0048 0.0381 0.0381
Echinococcus multilocularis cpg binding protein 0.0037 0.0268 0.0268
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0329 0.0308
Echinococcus multilocularis JmjC domain containing protein 4 0.0023 0.0131 0.0131
Loa Loa (eye worm) hypothetical protein 0.0184 0.1791 0.3428
Loa Loa (eye worm) hypothetical protein 0.0025 0.0151 0.0289
Schistosoma mansoni hypothetical protein 0.0048 0.0381 0.0369
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0329 0.0329
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.0019 0.0033
Brugia malayi protein ZK524.3 0.0025 0.0151 0.0286
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0144 0.1374 0.1374
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0034 0.0237 0.3927
Echinococcus granulosus cpg binding protein 0.0037 0.0268 0.0315
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.1443 0.276
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0066 0.0575 1
Brugia malayi jmjC domain containing protein 0.0023 0.0131 0.0248
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0066 0.0575 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0646 0.0761
Schistosoma mansoni cpg binding protein 0.0037 0.0268 0.0235
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0247 0.0473
Schistosoma mansoni cpg binding protein 0.0035 0.0247 0.0211
Schistosoma mansoni leucyl-tRNA synthetase 0.0025 0.0151 0.0096
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0034 0.0237 0.2064
Onchocerca volvulus Alhambra homolog 0.0027 0.017 0.0852
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0381 0.0381
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0381 0.0727
Brugia malayi Bromodomain containing protein 0.0027 0.017 0.0322
Onchocerca volvulus Huntingtin homolog 0.0148 0.1417 0.7886
Schistosoma mansoni hypothetical protein 0.0048 0.0381 0.0369
Treponema pallidum leucyl-tRNA synthetase 0.0025 0.0151 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0049 0.0391 0.6793
Plasmodium falciparum methionine--tRNA ligase, putative 0.0025 0.0151 0.259
Echinococcus granulosus lysosomal alpha glucosidase 0.0152 0.1457 0.1715
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0049 0.0391 0.67
Loa Loa (eye worm) jmjC domain-containing protein 0.0023 0.0131 0.025
Plasmodium vivax methionine--tRNA ligase, putative 0.0066 0.0575 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0025 0.0151 0.0151
Schistosoma mansoni tar DNA-binding protein 0.0517 0.5225 0.612
Toxoplasma gondii methionyl-tRNA synthetase 0.0066 0.0575 0.8612
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0646 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0144 0.1374 0.1618
Echinococcus granulosus jumonji domain containing 1A 0.0023 0.0131 0.0154
Schistosoma mansoni methionine-tRNA synthetase 0.0066 0.0575 0.0599
Onchocerca volvulus 0.0035 0.0247 0.1289
Brugia malayi jmjC domain containing protein 0.0023 0.0131 0.0248
Schistosoma mansoni tar DNA-binding protein 0.0517 0.5225 0.612
Trypanosoma brucei glucosidase, putative 0.0034 0.0237 0.3927
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0329 0.0308
Loa Loa (eye worm) jmjC domain-containing protein 0.0056 0.0468 0.0897
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0184 0.1791 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0381 0.0729
Brugia malayi jmjC domain containing protein 0.009 0.0815 0.1558
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0329 0.0308
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0023 0.0131 0.0072
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0023 0.0131 0.2013
Plasmodium vivax JmjC domain containing protein 0.0023 0.0131 0.2237
Onchocerca volvulus 0.0088 0.0796 0.4385
Loa Loa (eye worm) hypothetical protein 0.0013 0.0019 0.0036
Leishmania major alpha glucosidase II subunit, putative 0.0034 0.0237 0.3479
Echinococcus multilocularis lysosomal alpha glucosidase 0.0152 0.1457 0.1457
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0152 0.1457 0.2788
Schistosoma mansoni hypothetical protein 0.0027 0.017 0.0119
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0391 0.67
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0066 0.0575 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0027 0.017 0.0758
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.4989 0.4989
Echinococcus granulosus phd:f box containing protein 0.0023 0.0131 0.0154
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0025 0.0151 0.0151
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0391 0.5936
Brugia malayi RNA recognition motif domain containing protein 0.0517 0.5225 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0247 0.0471
Trichomonas vaginalis sucrase-isomaltase, putative 0.0034 0.0237 0.3927
Echinococcus multilocularis methionine tRNA synthetase 0.0066 0.0575 0.0575
Schistosoma mansoni jumonji/arid domain-containing protein 0.009 0.0815 0.0885
Trichomonas vaginalis alpha-glucosidase, putative 0.0034 0.0237 0.3927
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0023 0.0131 0.2013
Loa Loa (eye worm) hypothetical protein 0.0025 0.0151 0.0289
Echinococcus granulosus neutral alpha glucosidase AB 0.0034 0.0237 0.0279
Schistosoma mansoni jumonji/arid domain-containing protein 0.009 0.0815 0.0885
Loa Loa (eye worm) hypothetical protein 0.0023 0.0131 0.025
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0049 0.0391 0.0382
Toxoplasma gondii PHD-finger domain-containing protein 0.0027 0.017 0.0758
Brugia malayi jmjC domain containing protein 0.0023 0.0131 0.0248
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0646 0.0684
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8494 0.8494
Loa Loa (eye worm) hypothetical protein 0.0023 0.0131 0.025
Echinococcus granulosus tar DNA binding protein 0.0517 0.5225 0.6152
Brugia malayi N-terminal motif family protein 0.0184 0.1791 0.3427
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0646 0.0684
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0649 0.0687
Echinococcus granulosus lysine specific demethylase 6a 0.0023 0.0131 0.0154
Loa Loa (eye worm) hypothetical protein 0.0027 0.017 0.0325
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0646 1
Schistosoma mansoni alpha glucosidase 0.0034 0.0237 0.0199
Echinococcus multilocularis isocitrate dehydrogenase 0.0049 0.0391 0.0391
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0391 0.0391
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0049 0.0391 0.0461
Echinococcus granulosus JmjC domain containing protein 4 0.0023 0.0131 0.0154
Loa Loa (eye worm) hypothetical protein 0.0148 0.1417 0.2711
Trichomonas vaginalis alpha-glucosidase, putative 0.0034 0.0237 0.3927
Onchocerca volvulus 0.0041 0.0313 0.166
Schistosoma mansoni alpha-glucosidase 0.0131 0.1239 0.1388
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0568 0.8474
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0646 1
Plasmodium falciparum phd finger protein, putative 0.0027 0.017 0.292
Loa Loa (eye worm) isocitrate dehydrogenase 0.0049 0.0391 0.0749
Echinococcus multilocularis peregrin 0.0027 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0048 0.0381 0.0729
Echinococcus multilocularis neutral alpha glucosidase AB 0.0034 0.0237 0.0237
Trichomonas vaginalis alpha-glucosidase, putative 0.0034 0.0237 0.3927
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0049 0.0391 0.6793
Schistosoma mansoni phd/f-box containing protein 0.0023 0.0131 0.0072
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0066 0.0575 0.7194
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0329 0.0388
Plasmodium vivax methionine--tRNA ligase, putative 0.0025 0.0151 0.259
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0381 0.0448
Schistosoma mansoni phosphatidylserine receptor 0.0023 0.0131 0.0072
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0025 0.0151 0.0178
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0034 0.0237 0.0454
Echinococcus multilocularis leucyl tRNA synthetase 0.0025 0.0151 0.0151
Loa Loa (eye worm) jmjC domain-containing protein 0.0023 0.0131 0.025
Echinococcus granulosus lysine specific demethylase 5A 0.009 0.0815 0.096
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0517 0.5225 1
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0391 0.5054
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.1443 0.2762
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0237 0.3927
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0034 0.0237 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0329 0.0329
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.0951 0.1819
Schistosoma mansoni tar DNA-binding protein 0.0517 0.5225 0.612
Brugia malayi TAR-binding protein 0.0517 0.5225 1
Schistosoma mansoni protein phosphatase 2C 0.0023 0.0131 0.0072
Brugia malayi isocitrate dehydrogenase 0.0049 0.0391 0.0746
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0049 0.0391 0.67
Giardia lamblia Methionyl-tRNA synthetase 0.0066 0.0575 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0001 0.0003
Schistosoma mansoni hypothetical protein 0.0103 0.0951 0.1047
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0066 0.0575 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0049 0.0391 0.0391
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0391 0.67
Echinococcus multilocularis phd:f box containing protein 0.0023 0.0131 0.0131
Loa Loa (eye worm) hypothetical protein 0.0103 0.0951 0.1821
Echinococcus granulosus methionine tRNA synthetase 0.0066 0.0575 0.0677

Activities

Activity type Activity value Assay description Source Reference
AbsAC1 (functional) = 6.95 uM PubChem BioAssay. Small Molecule Inhibitors of FGF22-Mediated Excitatory Synaptogenesis & Epilepsy Measured in Biochemical System Using RT-PCR - 7012-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 5.108 uM PubChem BioAssay. Luminescence-based biochemical high throughput dose response assay for inhibitors of Trypanosoma brucei methionyl tRNA synthetase (MetRS). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 13.113 uM PubChem BioAssay. Counterscreen Fluorescent Polarization-based biochemical high throughput orthogonal dose response assay for inhibitors of Trypanosoma brucei methionyl tRNA synthetase (MetRS). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 32.2 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim10-1 yeast via a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463190, AID463194, AID504542, AID504544] ChEMBL. No reference
Potency (functional) 1.1689 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) 1.7783 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) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 11.2202 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 (functional) 15.8489 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3535 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) 22.3872 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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) 50.1187 uM PubChem BioAssay. qHTS Assay for Inhibitors of Human alpha-Galactosidase at pH 4.5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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