Detailed information for compound 1364300

Basic information

Technical information
  • TDR Targets ID: 1364300
  • Name: MLS000772229
  • MW: 453.83 | Formula: C19H20ClN3O8
  • H donors: 3 H acceptors: 7 LogP: 1.31 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.CN(CC(=O)Nc1ccc(cc1[N+](=O)[O-])Cl)CCOc1ccccc1
  • InChi: 1S/C17H18ClN3O4.C2H2O4/c1-20(9-10-25-14-5-3-2-4-6-14)12-17(22)19-15-8-7-13(18)11-16(15)21(23)24;3-1(4)2(5)6/h2-8,11H,9-10,12H2,1H3,(H,19,22);(H,3,4)(H,5,6)
  • InChiKey: LJJWOMFMHRCBCT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-chloro-2-nitrophenyl)-2-[methyl-[2-(phenoxy)ethyl]amino]acetamide; oxalic acid
  • N-(4-chloro-2-nitro-phenyl)-2-[methyl-[2-(phenoxy)ethyl]amino]acetamide; oxalic acid
  • N-(4-chloro-2-nitro-phenyl)-2-[methyl-[2-(phenoxy)ethyl]amino]ethanamide; ethanedioic acid
  • SMR000344293
  • T5324200

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative 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) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni aldehyde dehydrogenase 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0507 0.0468
Brugia malayi jmjC domain containing protein 0.0115 0.1224 0.4241
Onchocerca volvulus Alhambra homolog 0.0035 0.0245 0.0339
Echinococcus multilocularis lamin dm0 0.0026 0.0138 0.009
Onchocerca volvulus 0.0036 0.0256 0.0371
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0119 0.0253
Loa Loa (eye worm) hypothetical protein 0.006 0.0553 0.1778
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4129 1
Mycobacterium ulcerans arylamine N-acetyltransferase Nat 0.0619 0.738 1
Brugia malayi PHD-finger family protein 0.003 0.0183 0.0633
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0711 0.8957
Echinococcus multilocularis zinc finger protein 0.0024 0.0104 0.0056
Loa Loa (eye worm) hypothetical protein 0.0049 0.0416 0.1298
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0138 0.0317
Brugia malayi Bromodomain containing protein 0.0046 0.038 0.1317
Schistosoma mansoni hypothetical protein 0.0025 0.0119 0.0079
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0067 0.0019
Schistosoma mansoni hypothetical protein 0.0019 0.0048 0.0007
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0507 0.0462
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0507 0.0462
Echinococcus granulosus lamin dm0 0.0026 0.0138 0.009
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0067 0.0019
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1922 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0256 0.0216
Schistosoma mansoni bromodomain containing protein 0.0076 0.0749 0.0711
Loa Loa (eye worm) hypothetical protein 0.0057 0.0507 0.1618
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0245 0.0198
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0711 0.0667
Brugia malayi intermediate filament protein 0.0026 0.0138 0.0477
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1224 0.1182
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0935 0.0898
Echinococcus multilocularis lamin 0.0026 0.0138 0.009
Echinococcus multilocularis peregrin 0.0038 0.028 0.0234
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0696 0.0651
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0256 0.0216
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4129 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0711 0.0667
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0364 0.1114
Loa Loa (eye worm) hypothetical protein 0.0052 0.0444 0.1397
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4129 1
Echinococcus granulosus lamin 0.0026 0.0138 0.009
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0379 0.0333
Schistosoma mansoni hypothetical protein 0.0035 0.0245 0.0205
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1922 0.1816
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4129 1
Echinococcus granulosus zinc finger protein 0.0024 0.0104 0.0056
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4129 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0317
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0789 1
Onchocerca volvulus 0.0286 0.3311 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1224 0.1182
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0364 0.0318
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0076 0.0098
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0551 0.1772
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0048 0.0165
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0345 0.0299
Schistosoma mansoni lamin 0.0026 0.0138 0.0097
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0245 0.0205
Echinococcus granulosus intermediate filament protein 0.0026 0.0138 0.009
Brugia malayi PHD-finger family protein 0.0035 0.0245 0.085
Schistosoma mansoni hypothetical protein 0.0019 0.0048 0.0007
Schistosoma mansoni hypothetical protein 0.0019 0.0048 0.0007
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4129 1
Echinococcus multilocularis musashi 0.0026 0.0138 0.009
Loa Loa (eye worm) hypothetical protein 0.0026 0.0132 0.0296
Loa Loa (eye worm) hypothetical protein 0.0041 0.0318 0.0952
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0239 0.0192
Schistosoma mansoni intermediate filament proteins 0.0026 0.0138 0.0097
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0507 0.0468
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0789 0.0745
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.4129 1
Brugia malayi Bromodomain containing protein 0.0038 0.028 0.0971
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1922 0.1816
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0345 0.0299
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0789 1
Schistosoma mansoni lamin 0.0026 0.0138 0.0097
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0364 0.0325
Plasmodium falciparum phd finger protein, putative 0.0035 0.0245 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4129 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0048 0.0165
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0711 0.0673
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0551 0.1908
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.4129 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0336 0.0289
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0148 0.0107
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0414 0.0368
Schistosoma mansoni hypothetical protein 0.0041 0.0318 0.0278
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0379 0.0333
Echinococcus granulosus peregrin 0.0038 0.028 0.0234
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0789 0.0745
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0789 0.0752
Loa Loa (eye worm) hypothetical protein 0.006 0.0551 0.1772
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0148 0.01
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0138 0.0317
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0067 0.0026
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0245 0.0198
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0789 0.2612
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0318 0.1101
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4129 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0703 0.231
Brugia malayi jmjC domain containing protein 0.0045 0.0364 0.1261
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0067 0.0026
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4129 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0364 0.0325
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0789 0.2734
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0256 0.0221
Loa Loa (eye worm) hypothetical protein 0.0035 0.0245 0.0696
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0789 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0859 0.2857
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0148 0.01
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0711 1
Schistosoma mansoni hypothetical protein 0.0019 0.0048 0.0007
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0256 0.0209
Brugia malayi Pre-SET motif family protein 0.0036 0.0256 0.0885
Plasmodium vivax SET domain protein, putative 0.0036 0.0256 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0381 0.1175
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0414 0.0368
Brugia malayi Pre-SET motif family protein 0.0251 0.2887 1
Brugia malayi Bromodomain containing protein 0.0091 0.0922 0.3194
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0789 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0551 0.1908
Mycobacterium tuberculosis Arylamine N-acetyltransferase Nat (arylamine acetylase) 0.0619 0.738 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4129 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2887 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0696 0.0651
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0138 0.0477
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0245 0.0696
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0711 0.0673
Schistosoma mansoni zinc finger protein 0.0024 0.0104 0.0063

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1122 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) 0.7943 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia: Giardia lamblia growth inhibition. (Class of assay: confirmatory) [Related pubchem assays: 2451, 2472, 2464 ] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3342 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (binding) = 25.1189 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 (binding) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 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) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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