Detailed information for compound 1317471

Basic information

Technical information
  • TDR Targets ID: 1317471
  • Name: ethyl (Z)-2-cyano-3-(3,4-dimethoxyphenyl)prop -2-enoate
  • MW: 261.273 | Formula: C14H15NO4
  • H donors: 0 H acceptors: 2 LogP: 2.44 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)/C(=C\c1ccc(c(c1)OC)OC)/C#N
  • InChi: 1S/C14H15NO4/c1-4-19-14(16)11(9-15)7-10-5-6-12(17-2)13(8-10)18-3/h5-8H,4H2,1-3H3/b11-7-
  • InChiKey: PRSFEPRXXOXYKF-XFFZJAGNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (Z)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid ethyl ester
  • (Z)-2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid ethyl ester
  • ARONIS019099
  • ST5189817
  • SMR000322816
  • MLS000420218

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 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
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi MH2 domain containing protein 0.0142 0.0848 0.1512
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0048 0.0028
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0194 0.5435
Brugia malayi intermediate filament protein 0.0027 0.0087 0.0154
Plasmodium falciparum glutathione reductase 0.0019 0.0034 0.0467
Trypanosoma cruzi UDP-galactopyranose mutase 0.0063 0.0322 0.9199
Echinococcus multilocularis snurportin 1 0.0312 0.1978 0.1962
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0104 0.2774
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0162 0.0143
Schistosoma mansoni lamin 0.0027 0.0087 0.0079
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0194 0.0296
Onchocerca volvulus 0.0043 0.0194 0.0194
Echinococcus granulosus lysine specific histone demethylase 1A 0.0063 0.0322 0.0303
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0392 0.0665
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0034 0.0772
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0034 0.0687
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0115 0.0665 0.0658
Schistosoma mansoni hypothetical protein 0.0294 0.1857 0.1851
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0136 0.0116
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0087 0.015
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.013 0.0078
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0191 0.1171 0.1153
Schistosoma mansoni sodium-bile acid cotransporter 0.051 0.3294 0.3288
Loa Loa (eye worm) beta-lactamase 0.0043 0.0194 0.0342
Schistosoma mansoni hypothetical protein 0.0047 0.0215 0.0207
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.013 0.0231
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0349 0.062
Loa Loa (eye worm) hypothetical protein 0.0063 0.0322 0.0571
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0392 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0349 1
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.013 0.0078
Mycobacterium ulcerans oxidoreductase 0.0063 0.0322 0.0497
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0063 0.0322 0.8127
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0034 0.0772
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0272 0.0485
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0048 0.0085
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0194 0.0275
Brugia malayi mbt repeat family protein 0.0048 0.0226 0.0403
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0034 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.0322 0.0571
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0034 0.0379
Brugia malayi Sodium Bile acid symporter family protein 0.0859 0.5605 1
Schistosoma mansoni patched 1 0.0048 0.0226 0.0219
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0104 0.2774
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0392 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0034 0.1288
Loa Loa (eye worm) hypothetical protein 0.0043 0.0194 0.0342
Echinococcus granulosus pyruvate kinase 0.0034 0.013 0.011
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0226 0.0207
Plasmodium falciparum importin beta, putative 0.0029 0.0099 0.2613
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0057 0.0037
Brugia malayi SWIRM domain containing protein 0.0063 0.0322 0.0575
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0194 0.0296
Echinococcus granulosus intermediate filament protein 0.0027 0.0087 0.0067
Schistosoma mansoni amine oxidase 0.0063 0.0322 0.0314
Loa Loa (eye worm) hypothetical protein 0.0063 0.0322 0.0571
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0034 0.0061
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0034 0.0026
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0128 0.0757 0.1343
Echinococcus granulosus geminin 0.0169 0.1024 0.1006
Echinococcus granulosus snurportin 1 0.0312 0.1978 0.1962
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0136 0.0242
Onchocerca volvulus 0.0063 0.0322 0.0427
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0271 0.0263
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0194 0.0296
Brugia malayi Niemann-Pick C1 protein precursor 0.0113 0.0654 0.1167
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0392 0.0384
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.013 0.3561
Echinococcus multilocularis protoporphyrinogen oxidase 0.0063 0.0322 0.0303
Onchocerca volvulus 0.0859 0.5605 1
Echinococcus granulosus sodium bile acid cotransporter 0.0859 0.5605 0.5596
Loa Loa (eye worm) hypothetical protein 0.0148 0.0887 0.1579
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.013 0.3561
Echinococcus granulosus zinc finger protein 0.002 0.0037 0.0017
Echinococcus granulosus sodium bile acid cotransporter 0.0859 0.5605 0.5596
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0194 0.0186
Echinococcus multilocularis lamin dm0 0.0027 0.0087 0.0067
Loa Loa (eye worm) hypothetical protein 0.0043 0.0192 0.0339
Schistosoma mansoni hypothetical protein 0.0169 0.1024 0.1016
Loa Loa (eye worm) hypothetical protein 0.0048 0.0226 0.04
Echinococcus multilocularis protein dispatched 1 0.0055 0.0272 0.0252
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0143 0.0852 0.152
Toxoplasma gondii thioredoxin reductase 0.0056 0.0278 0.6947
Trypanosoma cruzi trypanothione reductase, putative 0.0056 0.0278 0.7916
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0194 0.8294
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0062 0.0227
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0271 0.0251
Toxoplasma gondii ABC1 family protein 0.0043 0.0194 0.4666
Mycobacterium tuberculosis Probable dehydrogenase 0.0128 0.0757 0.1343
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0057 0.0049
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0099 0.2123
Leishmania major pyruvate kinase 0.0034 0.013 0.3169
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1749 0.3189
Echinococcus granulosus expressed conserved protein 0.0106 0.0608 0.059
Schistosoma mansoni hypothetical protein 0.0047 0.0215 0.0207
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0057 0.0037
Loa Loa (eye worm) hypothetical protein 0.0043 0.0194 0.0342
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0034 0.0467
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0034 0.0772
Loa Loa (eye worm) hypothetical protein 0.0029 0.0099 0.0173
Loa Loa (eye worm) hypothetical protein 0.0024 0.0062 0.0106
Loa Loa (eye worm) hypothetical protein 0.0043 0.0194 0.0342
Onchocerca volvulus 0.0043 0.0194 0.0194
Loa Loa (eye worm) hypothetical protein 0.0063 0.0322 0.0571
Echinococcus multilocularis sterol regulatory element binding protein 0.0048 0.0226 0.0207
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0194 0.0174
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0147 0.0127
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0226 0.0218
Echinococcus multilocularis sodium bile acid cotransporter 0.0859 0.5605 0.5596
Loa Loa (eye worm) transcription factor SMAD2 0.0142 0.0848 0.1509
Brugia malayi Thioredoxin reductase 0.0056 0.0278 0.0497
Schistosoma mansoni lamin 0.0027 0.0087 0.0079
Schistosoma mansoni hypothetical protein 0.0047 0.0215 0.0207
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.016 0.0965 0.0957
Echinococcus granulosus Niemann Pick C1 protein 0.0113 0.0654 0.0635
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0048 0.1168
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0063 0.0322 0.0314
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.016 0.0965 0.0957
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0226 0.0218
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0087 0.015
Mycobacterium tuberculosis Possible oxidoreductase 0.0063 0.0322 0.0535
Loa Loa (eye worm) hypothetical protein 0.0271 0.1704 0.3037
Echinococcus granulosus lamin dm0 0.0027 0.0087 0.0067
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0136 0.0238
Loa Loa (eye worm) hypothetical protein 0.0041 0.0179 0.0316
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0194 0.8294
Loa Loa (eye worm) hypothetical protein 0.0075 0.0403 0.0716
Echinococcus multilocularis zinc finger protein 0.002 0.0037 0.0017
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0034 0.0687
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0226 0.0207
Loa Loa (eye worm) hypothetical protein 0.0034 0.013 0.0227
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0191 0.1171 0.1153
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.016 0.0965 0.0947
Echinococcus multilocularis GPCR, family 2 0.0035 0.0136 0.0116
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0392 0.0384
Echinococcus multilocularis survival motor neuron protein 1 0.0271 0.1704 0.1687
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0194 0.0345
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.011 0.0634 0.1132
Brugia malayi mbt repeat family protein 0.0048 0.0226 0.0403
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.013 0.3561
Plasmodium falciparum thioredoxin reductase 0.0056 0.0278 0.8549
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0034 0.0467
Trichomonas vaginalis ran, putative 0.0022 0.0048 0.0704
Brugia malayi PHD-finger family protein 0.0025 0.0073 0.013
Onchocerca volvulus Huntingtin homolog 0.0148 0.0887 0.1451
Echinococcus multilocularis pyruvate kinase 0.0027 0.0082 0.0063
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0143 0.0852 0.152
Schistosoma mansoni survival motor neuron protein 0.0055 0.0272 0.0264
Schistosoma mansoni hypothetical protein 0.0047 0.0215 0.0207
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0349 1
Plasmodium falciparum thioredoxin reductase 0.0019 0.0034 0.0467
Schistosoma mansoni hypothetical protein 0.0312 0.1978 0.1971
Schistosoma mansoni sodium-bile acid cotransporter related 0.0859 0.5605 0.5601
Echinococcus granulosus survival motor neuron protein 1 0.0271 0.1704 0.1687
Loa Loa (eye worm) hypothetical protein 0.0043 0.0194 0.0342
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0104 0.2254
Echinococcus granulosus pyruvate kinase 0.0034 0.013 0.011
Schistosoma mansoni hypothetical protein 0.0169 0.1024 0.1016
Echinococcus multilocularis lamin 0.0027 0.0087 0.0067
Schistosoma mansoni intermediate filament proteins 0.0027 0.0087 0.0079
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0099 0.2669
Mycobacterium ulcerans hypothetical protein 0.0043 0.0194 0.0275
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0062 0.0106
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0062 0.1462
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0034 0.0772
Loa Loa (eye worm) pyruvate kinase 0.0034 0.013 0.0227
Brugia malayi hypothetical protein 0.003 0.0104 0.0186
Loa Loa (eye worm) hypothetical protein 0.0859 0.5605 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.1102 0.1085
Loa Loa (eye worm) hypothetical protein 0.0148 0.0887 0.1579
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.0634 0.1128
Mycobacterium ulcerans beta-lactamase 0.0043 0.0194 0.0275
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0312 0.1978 0.3526
Schistosoma mansoni hypothetical protein 0.0075 0.0403 0.0396
Brugia malayi glutathione reductase 0.0056 0.0278 0.0497
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0087 0.0154
Echinococcus granulosus muscleblind protein 0.018 0.1102 0.1085
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0307 0.0288
Loa Loa (eye worm) hypothetical protein 0.0043 0.0194 0.0342
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0892 0.5828 1
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0194 0.0296
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0194 0.0174
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0048 0.0915
Loa Loa (eye worm) pyruvate kinase 0.0034 0.013 0.0227
Echinococcus multilocularis pyruvate kinase 0.0034 0.013 0.011
Onchocerca volvulus 0.0055 0.0272 0.0336
Echinococcus multilocularis 0.0063 0.0322 0.0303
Schistosoma mansoni bromodomain containing protein 0.0064 0.0331 0.0323
Schistosoma mansoni hypothetical protein 0.0035 0.0136 0.0128
Loa Loa (eye worm) hypothetical protein 0.003 0.0104 0.0182
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0048 0.0915
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0113 0.0654 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0654 0.1163
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0403 0.072
Echinococcus granulosus lamin 0.0027 0.0087 0.0067
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0034 0.0772
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0392 0.0617
Echinococcus multilocularis microtubule associated protein 2 0.1521 1 1
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0062 0.1462
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0063 0.0322 0.0497
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0104 0.2811
Leishmania major GTP-binding protein, putative 0.0022 0.0048 0.1039
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0128 0.0757 0.8684
Schistosoma mansoni pyruvate kinase 0.0017 0.002 0.0012
Brugia malayi beta-lactamase family protein 0.0043 0.0194 0.0345
Echinococcus multilocularis sodium bile acid cotransporter 0.0859 0.5605 0.5596
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0194 0.5435
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0349 0.4977
Plasmodium vivax glutathione reductase, putative 0.0056 0.0278 0.8549
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0063 0.0322 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0034 0.0772
Echinococcus multilocularis sodium bile acid cotransporter 0.0859 0.5605 0.5596
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0226 0.0207
Mycobacterium tuberculosis Conserved hypothetical protein 0.0063 0.0322 0.0535
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0099 0.0079
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0392 0.0373
Schistosoma mansoni importin beta-1 0.0029 0.0099 0.0091
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0104 0.2811
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.083 0.5411 1
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0136 0.0242
Mycobacterium ulcerans lipase LipD 0.0043 0.0194 0.0275
Loa Loa (eye worm) hypothetical protein 0.018 0.1102 0.1964
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.002 0.0012
Echinococcus granulosus Niemann Pick C1 protein 0.0161 0.0975 0.0957
Loa Loa (eye worm) hypothetical protein 0.011 0.0634 0.1128
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0194 0.8294
Onchocerca volvulus 0.0043 0.0194 0.0194
Plasmodium vivax pyruvate kinase, putative 0.0034 0.013 0.3622
Onchocerca volvulus Huntingtin homolog 0.0148 0.0887 0.1451
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0034 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.016 0.0965 0.0957
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0062 0.1462
Brugia malayi Importin beta-1 subunit 0.0029 0.0099 0.0177
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0136 0.0116
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0063 0.0322 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.013 0.0177
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0392 0.0617
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0099 0.2669
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0034 0.0772
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0392 0.0617
Loa Loa (eye worm) hypothetical protein 0.0063 0.0322 0.0571
Leishmania major UDP-galactopyranose mutase 0.0063 0.0322 0.8187
Loa Loa (eye worm) hypothetical protein 0.0072 0.0381 0.0676
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0226 0.0218
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0271 0.0251
Schistosoma mansoni pyruvate kinase 0.0034 0.013 0.0122
Brugia malayi RNA, U transporter 1 0.0083 0.0457 0.0816
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0002 0.0004
Trypanosoma brucei pyruvate kinase 1 0.0034 0.013 0.3561
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0136 0.0116
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0194 0.0186
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0063 0.0322 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0034 0.0379
Brugia malayi amine oxidase, flavin-containing family protein 0.0063 0.0322 0.0575
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0392 0.0373
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0194 0.5742
Schistosoma mansoni pyruvate kinase 0.0034 0.013 0.0122
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0194 0.5435
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.013 0.4961
Brugia malayi beta-lactamase 0.0043 0.0194 0.0345
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0143 0.0852 1
Plasmodium vivax importin-beta 2, putative 0.0029 0.0099 0.2613
Brugia malayi Bromodomain containing protein 0.0076 0.041 0.0731
Echinococcus granulosus thioredoxin glutathione reductase 0.0056 0.0278 0.0259
Brugia malayi Muscleblind-like protein 0.018 0.1102 0.1967
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0063 0.0322 0.0314
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0034 0.0772
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.016 0.0965 0.0947
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0226 1
Mycobacterium ulcerans dehydrogenase 0.0063 0.0322 0.0497
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0349 0.0623
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0226 0.0207
Echinococcus granulosus GPCR family 2 0.0035 0.0136 0.0116
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0271 0.0483
Loa Loa (eye worm) thioredoxin reductase 0.0056 0.0278 0.0493
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0034 0.0015
Echinococcus multilocularis Niemann Pick C1 protein 0.0113 0.0654 0.0635
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0136 0.0116
Loa Loa (eye worm) hypothetical protein 0.0043 0.0194 0.0342
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0226 0.04
Echinococcus multilocularis Niemann Pick C1 protein 0.0161 0.0975 0.0957
Loa Loa (eye worm) hypothetical protein 0.0048 0.0226 0.04
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0349 0.033
Mycobacterium tuberculosis Conserved protein 0.0043 0.0194 0.0296
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0226 0.0253
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0034 0.0467
Echinococcus granulosus lysine specific histone demethylase 1A 0.0063 0.0322 0.0303
Echinococcus granulosus importin subunit beta 1 0.0029 0.0099 0.0079
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0034 0.0772
Plasmodium vivax hypothetical protein, conserved 0.0063 0.0322 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0136 0.0238
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0194 0.0296
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0048 0.1168
Mycobacterium tuberculosis Probable reductase 0.0128 0.0757 0.1343
Schistosoma mansoni sodium-bile acid cotransporter related 0.0348 0.2216 0.221
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0063 0.0322 0.2667
Loa Loa (eye worm) hypothetical protein 0.0063 0.0322 0.0571
Entamoeba histolytica hypothetical protein 0.0024 0.0062 0.024
Echinococcus multilocularis protein patched 0.0048 0.0226 0.0207
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.002 0.0012
Leishmania major pyruvate kinase 0.0034 0.013 0.3169
Brugia malayi hypothetical protein 0.0271 0.1704 0.304
Loa Loa (eye worm) MH2 domain-containing protein 0.0142 0.0848 0.1509
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0194 0.8294
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0044 0.0074
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.002 0.0012
Mycobacterium leprae Probable lipase LipE 0.0043 0.0194 0.0886
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0034 0.0772
Loa Loa (eye worm) glutathione reductase 0.0056 0.0278 0.0493
Toxoplasma gondii histone lysine-specific demethylase 0.0063 0.0322 0.8127
Mycobacterium tuberculosis Probable oxidoreductase 0.0143 0.0852 0.152
Schistosoma mansoni zinc finger protein 0.002 0.0037 0.0029
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0048 0.1168
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.002 0.0012
Schistosoma mansoni ran 0.0022 0.0048 0.004
Trichomonas vaginalis esterase, putative 0.0043 0.0194 0.8294
Treponema pallidum NADH oxidase 0.0019 0.0034 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0083 0.0145
Trypanosoma cruzi UDP-galactopyranose mutase 0.0063 0.0322 0.9199
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.013 0.4961
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0034 0.0772
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0271 0.0251
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0063 0.0322 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0104 0.2774
Plasmodium falciparum glutathione reductase 0.0056 0.0278 0.8549
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.016 0.0965 0.1721
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0349 0.8899
Echinococcus multilocularis thioredoxin glutathione reductase 0.0056 0.0278 0.0259
Echinococcus multilocularis musashi 0.0027 0.0087 0.0067
Brugia malayi beta-lactamase family protein 0.0043 0.0194 0.0345
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.016 0.0965 0.0947
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0194 0.8294
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0034 0.0687
Echinococcus multilocularis pyruvate kinase 0.0034 0.013 0.011
Plasmodium falciparum pyruvate kinase 0.0034 0.013 0.3622
Onchocerca volvulus 0.0048 0.0226 0.0253
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0194 0.0275
Loa Loa (eye worm) hypothetical protein 0.018 0.1102 0.1964
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0104 0.2811
Schistosoma mansoni microtubule-associated protein tau 0.1521 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0128 0.0757 0.1343
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0024 0.0039
Schistosoma mansoni hypothetical protein 0.0035 0.0136 0.0128
Echinococcus multilocularis expressed conserved protein 0.0106 0.0608 0.059
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0034 0.0772
Chlamydia trachomatis pyruvate kinase 0.0034 0.013 0.331
Schistosoma mansoni hypothetical protein 0.0035 0.0136 0.0128
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0034 0.0772
Brugia malayi hypothetical protein 0.0019 0.0033 0.006
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.0634 0.1132
Chlamydia trachomatis protoporphyrinogen oxidase 0.0063 0.0322 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0299 0.0529
Plasmodium falciparum protoporphyrinogen oxidase 0.0063 0.0322 1
Leishmania major importin beta-1 subunit, putative 0.0024 0.0062 0.1418
Trypanosoma brucei trypanothione reductase 0.0056 0.0278 0.7916
Schistosoma mansoni amine oxidase 0.0063 0.0322 0.0314
Leishmania major hypothetical protein, conserved 0.003 0.0104 0.2502
Plasmodium vivax hypothetical protein, conserved 0.0063 0.0322 1
Echinococcus granulosus sodium bile acid cotransporter 0.0859 0.5605 0.5596
Schistosoma mansoni hypothetical protein 0.0035 0.0136 0.0128
Mycobacterium ulcerans pyruvate kinase 0.0034 0.013 0.0164
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0048 0.0226 0.04
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0034 0.0467
Leishmania major hypothetical protein, conserved 0.0043 0.0194 0.4837
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.013 0.0231
Giardia lamblia Pyruvate kinase 0.0034 0.013 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0194 0.0886
Mycobacterium tuberculosis Conserved protein 0.0043 0.0194 0.0296
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0056 0.0278 0.0454
Echinococcus multilocularis muscleblind protein 0.018 0.1102 0.1085
Brugia malayi Bromodomain containing protein 0.0039 0.0163 0.0291
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0147 0.0127
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0349 0.033
Loa Loa (eye worm) hypothetical protein 0.0039 0.0163 0.0288
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.016 0.0965 0.0947
Loa Loa (eye worm) hypothetical protein 0.0027 0.0087 0.015
Plasmodium vivax thioredoxin reductase, putative 0.0056 0.0278 0.8549
Echinococcus granulosus Protein patched homolog 1 0.0048 0.0226 0.0207
Schistosoma mansoni ran 0.0022 0.0048 0.004
Loa Loa (eye worm) hypothetical protein 0.0055 0.0271 0.0479
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0194 0.0342
Mycobacterium ulcerans monoamine oxidase 0.0063 0.0322 0.0497
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0271 0.0251
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.013 0.0078
Loa Loa (eye worm) pyruvate kinase 0.0034 0.013 0.0227
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0349 0.0342
Loa Loa (eye worm) MBCTL1 0.0055 0.0271 0.0479
Schistosoma mansoni hypothetical protein 0.0021 0.0044 0.0036
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0048 0.0743
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0034 0.0687
Brugia malayi CHE-14 protein 0.0048 0.0226 0.0404
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.013 0.2943
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0307 0.0288
Schistosoma mansoni hypothetical protein 0.0055 0.0272 0.0264
Brugia malayi hypothetical protein 0.0063 0.0322 0.0575
Echinococcus granulosus sterol regulatory element binding protein 0.0048 0.0226 0.0207
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.016 0.0965 0.1718
Echinococcus multilocularis geminin 0.0169 0.1024 0.1006
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0034 0.0015
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0128 0.0757 0.1343
Mycobacterium tuberculosis Conserved protein 0.0043 0.0194 0.0296
Brugia malayi hypothetical protein 0.0148 0.0887 0.1583
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0194 0.0296
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0349 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0929 0.6073 0.6065
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0048 0.0081
Leishmania major trypanothione reductase 0.0056 0.0278 0.7045
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0048 0.0028
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0892 0.5828 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0062 0.1594
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0162 0.0143
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0048 0.2525
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0194 0.0296
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0063 0.0322 0.0303
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0128 0.0757 0.1343
Loa Loa (eye worm) hypothetical protein 0.0017 0.002 0.0031

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 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 (binding) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 50.1187 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) 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) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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