Detailed information for compound 1275394

Basic information

Technical information
  • TDR Targets ID: 1275394
  • Name: 2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo -2-sulfanylideneimidazolidin-4-yl]-N-(4-fluor ophenyl)acetamide
  • MW: 429.508 | Formula: C22H24FN3O3S
  • H donors: 1 H acceptors: 2 LogP: 3.16 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1C(=S)N(C(C1=O)CC(=O)Nc1ccc(cc1)F)CCc1ccc(cc1)OC
  • InChi: 1S/C22H24FN3O3S/c1-3-25-21(28)19(14-20(27)24-17-8-6-16(23)7-9-17)26(22(25)30)13-12-15-4-10-18(29-2)11-5-15/h4-11,19H,3,12-14H2,1-2H3,(H,24,27)
  • InChiKey: YCJJLPCSOSFAJA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxo-imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
  • 2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-fluorophenyl)acetamide
  • 2-[1-ethyl-5-keto-3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
  • 2-[1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-imidazolidin-4-yl]-N-(4-fluorophenyl)ethanamide
  • 4846-62-2
  • Oprea1_479173
  • STOCK3S-60032
  • BAS 02280203
  • MLS000677336
  • SMR000286123

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Trypanosoma brucei methionyl-tRNA synthetase, putative Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi methionyl-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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax methionine--tRNA ligase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Theileria parva methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Plasmodium knowlesi methionine--tRNA ligase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania mexicana methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Onchocerca volvulus Get druggable targets OG5_127468 All targets in OG5_127468
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Methionine--tRNA ligase (EC 6.1.1.10), related Get druggable targets OG5_127468 All targets in OG5_127468
Toxoplasma gondii methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus methionine tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
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
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase 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
Schistosoma japonicum ko:K01874 methionyl-tRNA synthetase [EC6.1.1.10], 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
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani 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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein 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
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) Get druggable targets OG5_127468 All targets in OG5_127468
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma congolense methionyl-tRNA synthetase, 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Cryptosporidium hominis methionine -- tRNA ligase Get druggable targets OG5_127468 All targets in OG5_127468
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans 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
Trypanosoma brucei gambiense methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Echinococcus multilocularis methionine tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei methionyl-tRNA synthetase, putative 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
Giardia lamblia Methionyl-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
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Theileria parva methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma mansoni methionine-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis 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
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania infantum methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Plasmodium falciparum methionine--tRNA ligase Get druggable targets OG5_127468 All targets in OG5_127468
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
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
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 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
Plasmodium berghei methionine--tRNA ligase, 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, 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
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
Trypanosoma brucei fructose-1,6-bisphosphatase 0.2374 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0221 0.0209
Brugia malayi intermediate filament protein 0.0033 0.0104 0.0093
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0244 0.0172
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.3489 0.3486
Leishmania major methionyl-tRNA synthetase, putative 0.0066 0.0247 0.0175
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0047 0.0044
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0113 0.0101
Onchocerca volvulus 0.0041 0.014 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0074 0.0062
Schistosoma mansoni fructose-16-bisphosphatase-related 0.2374 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0104 0.0092
Echinococcus granulosus lamin dm0 0.0033 0.0104 0.0101
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.2054 0.2052
Plasmodium falciparum methionine--tRNA ligase 0.0066 0.0247 1
Schistosoma mansoni cpg binding protein 0.0035 0.0113 0.011
Loa Loa (eye worm) hypothetical protein 0.0041 0.0141 0.0129
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0221 0.021
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0221 0.021
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0277 0.0204
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0047 0.0036
Loa Loa (eye worm) hypothetical protein 0.0025 0.0074 0.0062
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0277 0.0274
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0277 1
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0025 0.0074 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0047 0.0044
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0012 0.0009
Schistosoma mansoni lamin 0.0033 0.0104 0.0101
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0041 0.0029
Schistosoma mansoni methionine-tRNA synthetase 0.0066 0.0247 0.0244
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0277 0.0204
Schistosoma mansoni methionine-tRNA synthetase 0.0025 0.0074 0.0071
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0025 0.0074 0.0071
Brugia malayi protein ZK524.3 0.0025 0.0074 0.0062
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.3489 0.3486
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0033 0.003
Loa Loa (eye worm) hypothetical protein 0.0025 0.0074 0.0062
Schistosoma mansoni hypothetical protein 0.0019 0.0047 0.0044
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0047 0.0044
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0025 0.0074 0.0071
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0277 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0113 0.0102
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0047 0.0044
Loa Loa (eye worm) hypothetical protein 0.0015 0.0031 0.0019
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0041 0.014 0.0128
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0883 0.3698 0.3538
Toxoplasma gondii fructose-bisphospatase I 0.0883 0.3698 0.3651
Loa Loa (eye worm) hypothetical protein 0.0015 0.0031 0.0019
Schistosoma mansoni hypothetical protein 0.0494 0.2054 0.2052
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0066 0.0247 0.8556
Chlamydia trachomatis methionine--tRNA ligase 0.0025 0.0074 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0122 0.0119
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0047 0.0035
Echinococcus granulosus GPCR family 2 0.0019 0.0047 0.0044
Schistosoma mansoni hypothetical protein 0.0019 0.0047 0.0044
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0277 0.0274
Echinococcus granulosus fructose 16 bisphosphatase 1 0.2374 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0221 0.0209
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0033 0.003
Echinococcus multilocularis methionine tRNA synthetase 0.0066 0.0247 0.0244
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0047 0.0036
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0066 0.0247 0.0236
Brugia malayi methionyl-tRNA synthetase 0.0066 0.0247 0.0236
Toxoplasma gondii methionyl-tRNA synthetase 0.0066 0.0247 0.0175
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0278 0.0275
Echinococcus granulosus methionine tRNA synthetase 0.0066 0.0247 0.0244
Echinococcus multilocularis lamin 0.0033 0.0104 0.0101
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0104 0.0093
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0883 0.3698 0.3651
Schistosoma mansoni lamin 0.0033 0.0104 0.0101
Brugia malayi methionyl-tRNA synthetase 0.0025 0.0074 0.0062
Echinococcus multilocularis leucyl tRNA synthetase 0.0025 0.0074 0.0071
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0883 0.3698 0.3538
Schistosoma mansoni cpg binding protein 0.0037 0.0122 0.0119
Loa Loa (eye worm) hypothetical protein 0.0032 0.0102 0.009
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0277 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0277 0.0274
Echinococcus multilocularis GPCR, family 2 0.0019 0.0047 0.0044
Leishmania major 0.2374 1 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.3489 0.3486
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.2374 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0141 0.0129
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0066 0.0247 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0277 0.0274
Echinococcus multilocularis cpg binding protein 0.0037 0.0122 0.0119
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0041 0.0028
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0066 0.0247 1
Echinococcus multilocularis musashi 0.0033 0.0104 0.0101
Echinococcus granulosus dnaJ subfamily B 0.0494 0.2054 0.2052
Loa Loa (eye worm) hypothetical protein 0.0019 0.0047 0.0035
Echinococcus multilocularis lamin dm0 0.0033 0.0104 0.0101
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2374 1 1
Echinococcus granulosus lamin 0.0033 0.0104 0.0101
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0012 0.0009
Treponema pallidum leucyl-tRNA synthetase 0.0025 0.0074 0.5
Treponema pallidum methionyl-tRNA synthetase 0.0025 0.0074 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.0122 0.0119
Echinococcus granulosus intermediate filament protein 0.0033 0.0104 0.0101
Schistosoma mansoni intermediate filament proteins 0.0033 0.0104 0.0101
Giardia lamblia Methionyl-tRNA synthetase 0.0066 0.0247 1
Onchocerca volvulus 0.0035 0.0113 0.2493
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0066 0.0247 0.5
Toxoplasma gondii fructose-bisphospatase II 0.2374 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0104 0.0092
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2374 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0277 1
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.2374 1 1
Schistosoma mansoni leucyl-tRNA synthetase 0.0025 0.0074 0.0071
Schistosoma mansoni hypothetical protein 0.0041 0.0141 0.0138
Schistosoma mansoni hypothetical protein 0.0019 0.0047 0.0044
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0104 0.0092
Chlamydia trachomatis leucine--tRNA ligase 0.0025 0.0074 0.5
Plasmodium vivax methionine--tRNA ligase, putative 0.0066 0.0247 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0021
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0883 0.3698 0.3538
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0047 0.0044

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 10.533 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) 13.173 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
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 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) = 10 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 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) = 12.5893 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) 16.5113 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) 20.5878 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) = 31.6228 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) 35.4813 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) 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) 316.2278 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 794.3282 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (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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