Detailed information for compound 1220403

Basic information

Technical information
  • TDR Targets ID: 1220403
  • Name: ethyl 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-e noate
  • 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-YRNVUSSQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate
  • (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid ethyl ester
  • 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid ethyl ester
  • (E)-2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid ethyl ester
  • 2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid ethyl ester
  • 2286-55-7
  • MLS000529192
  • BAS 00220975
  • SR-01000631908-1
  • 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester
  • SMR000121667
  • ZINC00122691
  • NSC10162

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein 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
Candida albicans 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
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative 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
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative 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 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
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase 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
Neospora caninum hypothetical protein 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
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii 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
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi PHD-finger family protein 0.0025 0.008 0.013
Schistosoma mansoni hypothetical protein 0.0047 0.0222 0.022
Mycobacterium ulcerans hypothetical protein 0.0043 0.0201 0.0275
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0111 0.2811
Plasmodium falciparum thioredoxin reductase 0.0019 0.0042 0.0467
Leishmania major GTP-binding protein, putative 0.0022 0.0055 0.1039
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0201 0.5435
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.007 0.1462
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0233 0.0416
Schistosoma mansoni hypothetical protein 0.0312 0.1984 0.1982
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0128 0.0763 0.1343
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0154 0.0154
Trichomonas vaginalis importin beta-1, putative 0.0024 0.007 0.1462
Onchocerca volvulus Huntingtin homolog 0.0148 0.0894 0.1451
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0201 0.8294
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0111 0.2254
Schistosoma mansoni hypothetical protein 0.0047 0.0222 0.022
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.007 0.1462
Brugia malayi glutathione reductase 0.0056 0.0285 0.0497
Brugia malayi hypothetical protein 0.0063 0.0329 0.0575
Brugia malayi SWIRM domain containing protein 0.0063 0.0329 0.0575
Schistosoma mansoni hypothetical protein 0.0055 0.0279 0.0277
Plasmodium vivax glutathione reductase, putative 0.0056 0.0285 0.8549
Schistosoma mansoni hypothetical protein 0.0169 0.103 0.1029
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0214 0.1329 0.1329
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0106 0.2669
Leishmania major hypothetical protein, conserved 0.0043 0.0201 0.4837
Loa Loa (eye worm) hypothetical protein 0.0859 0.5608 1
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0233 0.0233
Trichomonas vaginalis ran, putative 0.0022 0.0055 0.0704
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.017 0.017
Echinococcus granulosus sodium bile acid cotransporter 0.0859 0.5608 0.5608
Echinococcus multilocularis muscleblind protein 1 0.018 0.1109 0.1109
Echinococcus multilocularis sodium bile acid cotransporter 0.0859 0.5608 0.5608
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0143 0.0858 0.152
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0113 0.0661 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0329 0.0587
Echinococcus granulosus transcription factor Dp 1 0.0039 0.017 0.017
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0201 0.8294
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0357 0.4977
Plasmodium vivax thioredoxin reductase, putative 0.0056 0.0285 0.8549
Mycobacterium tuberculosis Conserved protein 0.0043 0.0201 0.0296
Schistosoma mansoni sodium-bile acid cotransporter 0.051 0.3298 0.3297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0214 0.1329 0.1328
Brugia malayi hypothetical protein 0.0148 0.0894 0.1583
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0042 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0042 0.0772
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0357 0.0636
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0072 0.039 0.0683
Echinococcus multilocularis musashi 0.0027 0.0094 0.0094
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0233 0.0232
Schistosoma mansoni hypothetical protein 0.0072 0.039 0.0388
Entamoeba histolytica hypothetical protein 0.0024 0.007 0.024
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0106 0.2669
Loa Loa (eye worm) hypothetical protein 0.0017 0.0027 0.0048
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0042 0.004
Brugia malayi mbt repeat family protein 0.0048 0.0233 0.0403
Loa Loa (eye worm) hypothetical protein 0.0034 0.0137 0.0244
Loa Loa (eye worm) thioredoxin reductase 0.0056 0.0285 0.0509
Brugia malayi Bromodomain containing protein 0.0076 0.0417 0.0731
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0137 0.4961
Echinococcus granulosus Protein patched homolog 1 0.0048 0.0234 0.0234
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0072 0.039 0.039
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0042 0.0379
Echinococcus multilocularis sodium bile acid cotransporter 0.0859 0.5608 0.5608
Schistosoma mansoni zinc finger protein 0.002 0.0044 0.0043
Plasmodium falciparum glutathione reductase 0.0056 0.0285 0.8549
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0069 0.0123
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0314 0.0314
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0233 0.0232
Schistosoma mansoni hypothetical protein 0.0072 0.039 0.0388
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0063 0.0329 0.0497
Plasmodium falciparum glutathione reductase 0.0019 0.0042 0.0467
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0072 0.039 0.039
Mycobacterium ulcerans pyruvate kinase 0.0034 0.0137 0.0164
Brugia malayi RNA, U transporter 1 0.0083 0.0464 0.0816
Loa Loa (eye worm) latrophilin receptor protein 2 0.0072 0.039 0.0695
Loa Loa (eye worm) hypothetical protein 0.0072 0.039 0.0695
Loa Loa (eye worm) hypothetical protein 0.0048 0.0233 0.0416
Trypanosoma brucei pyruvate kinase 1 0.0034 0.0137 0.3561
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0027 0.0026
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0233 0.0233
Echinococcus multilocularis neuropeptide s receptor 0.0546 0.3533 0.3533
Brugia malayi Importin beta-1 subunit 0.0029 0.0106 0.0177
Loa Loa (eye worm) hypothetical protein 0.0271 0.171 0.3049
Schistosoma mansoni pyruvate kinase 0.0034 0.0137 0.0135
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0201 0.0345
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0312 0.1984 0.3537
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0399 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0042 0.0467
Treponema pallidum NADH oxidase 0.0019 0.0042 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0143 0.0858 0.152
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0063 0.0329 0.0328
Loa Loa (eye worm) hypothetical protein 0.0043 0.0201 0.0358
Plasmodium vivax importin-beta 2, putative 0.0029 0.0106 0.2613
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0048 0.0234 0.0416
Echinococcus granulosus neuropeptide receptor A26 0.0546 0.3533 0.3533
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0137 0.4961
Brugia malayi beta-lactamase 0.0043 0.0201 0.0345
Mycobacterium tuberculosis Conserved hypothetical protein 0.0063 0.0329 0.0535
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0042 0.0772
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0234 1
Echinococcus multilocularis lamin 0.0027 0.0094 0.0094
Schistosoma mansoni ran 0.0022 0.0055 0.0054
Echinococcus granulosus pyruvate kinase 0.0017 0.0028 0.0028
Echinococcus multilocularis pyruvate kinase 0.0017 0.0028 0.0028
Schistosoma mansoni hypothetical protein 0.0156 0.0944 0.0943
Loa Loa (eye worm) hypothetical protein 0.0113 0.0661 0.1178
Schistosoma mansoni hypothetical protein 0.0072 0.039 0.0388
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0111 0.2774
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0357 0.0357
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0042 0.0042
Onchocerca volvulus 0.0859 0.5608 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0278 0.0495
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0072 0.039 0.039
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0063 0.0329 0.8127
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0201 0.0296
Echinococcus multilocularis sodium bile acid cotransporter 0.0859 0.5608 0.5608
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0201 0.5435
Schistosoma mansoni hypothetical protein 0.0016 0.0015 0.0014
Loa Loa (eye worm) hypothetical protein 0.0156 0.0944 0.1684
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0042 0.0772
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0055 0.1168
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0027 0.0027
Mycobacterium ulcerans dehydrogenase 0.0063 0.0329 0.0497
Loa Loa (eye worm) hypothetical protein 0.003 0.0111 0.0198
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0027 0.0026
Schistosoma mansoni microtubule-associated protein tau 0.1521 1 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0094 0.0167
Echinococcus multilocularis Niemann Pick C1 protein 0.0113 0.0661 0.0661
Echinococcus multilocularis lamin dm0 0.0027 0.0094 0.0094
Echinococcus granulosus expressed conserved protein 0.0106 0.0615 0.0615
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0042 0.0772
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0143 0.0858 1
Brugia malayi MH2 domain containing protein 0.0142 0.0854 0.1512
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0137 0.0078
Schistosoma mansoni ran 0.0022 0.0055 0.0054
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0201 0.0296
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0072 0.039 0.039
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.0137 0.0177
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0063 0.0329 0.0329
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0063 0.0329 1
Brugia malayi Bromodomain containing protein 0.0039 0.017 0.0291
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0201 0.0199
Echinococcus granulosus sterol regulatory element binding protein 0.0048 0.0234 0.0234
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0055 0.1168
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0892 0.5832 1
Echinococcus multilocularis survival motor neuron protein 1 0.0271 0.171 0.171
Echinococcus granulosus intermediate filament protein 0.0027 0.0094 0.0094
Mycobacterium ulcerans oxidoreductase 0.0063 0.0329 0.0497
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0233 0.0233
Echinococcus granulosus pyruvate kinase 0.0017 0.0028 0.0028
Trypanosoma cruzi UDP-galactopyranose mutase 0.0063 0.0329 0.9199
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0115 0.0672 0.0671
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0128 0.0763 0.1343
Echinococcus granulosus survival motor neuron protein 1 0.0271 0.171 0.171
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0111 0.2774
Loa Loa (eye worm) hypothetical protein 0.018 0.1109 0.1977
Brugia malayi Sodium Bile acid symporter family protein 0.0859 0.5608 1
Schistosoma mansoni sodium-bile acid cotransporter related 0.0348 0.2222 0.2221
Loa Loa (eye worm) hypothetical protein 0.0043 0.0201 0.0358
Plasmodium vivax pyruvate kinase, putative 0.0034 0.0137 0.3622
Schistosoma mansoni lamin 0.0027 0.0094 0.0092
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0042 0.0061
Echinococcus granulosus lamin 0.0027 0.0094 0.0094
Brugia malayi hypothetical protein 0.003 0.0111 0.0186
Loa Loa (eye worm) beta-lactamase 0.0043 0.0201 0.0358
Loa Loa (eye worm) hypothetical protein 0.0029 0.0106 0.019
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0214 0.1329 0.2371
Echinococcus granulosus importin subunit beta 1 0.0029 0.0106 0.0106
Plasmodium falciparum pyruvate kinase 0.0034 0.0137 0.3622
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0027 0.0027
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0201 0.0275
Schistosoma mansoni pyruvate kinase 0.0034 0.0137 0.0135
Schistosoma mansoni sodium-bile acid cotransporter related 0.0859 0.5608 0.5607
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1755 0.3189
Echinococcus granulosus neuropeptide s receptor 0.0546 0.3533 0.3533
Brugia malayi hypothetical protein 0.0019 0.0041 0.006
Echinococcus multilocularis protein patched 0.0048 0.0234 0.0234
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0399 0.0397
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0002 0.0002
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0314 0.0314
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0094 0.0167
Echinococcus granulosus geminin 0.0169 0.103 0.103
Loa Loa (eye worm) hypothetical protein 0.018 0.1109 0.1977
Echinococcus multilocularis pyruvate kinase 0.0027 0.009 0.009
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0042 0.0772
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0064 0.0064
Mycobacterium tuberculosis Possible oxidoreductase 0.0063 0.0329 0.0535
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0128 0.0763 0.1343
Schistosoma mansoni hypothetical protein 0.0047 0.0222 0.022
Echinococcus granulosus thioredoxin glutathione reductase 0.0056 0.0285 0.0285
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0137 0.3561
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0399 0.0617
Echinococcus multilocularis snurportin 1 0.0312 0.1984 0.1984
Toxoplasma gondii ABC1 family protein 0.0043 0.0201 0.4666
Brugia malayi hypothetical protein 0.0271 0.171 0.304
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0213 0.1326 0.2234
Onchocerca volvulus 0.0055 0.0279 0.0336
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0137 0.0244
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0051 0.0091
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0055 0.1168
Brugia malayi Niemann-Pick C1 protein precursor 0.0113 0.0661 0.1167
Loa Loa (eye worm) hypothetical protein 0.0043 0.0201 0.0358
Loa Loa (eye worm) hypothetical protein 0.0027 0.0091 0.0161
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0201 0.0296
Mycobacterium tuberculosis Conserved protein 0.0043 0.0201 0.0296
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.001 0.0017
Schistosoma mansoni hypothetical protein 0.0294 0.1863 0.1862
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0027 0.0027
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0094 0.0154
Loa Loa (eye worm) hypothetical protein 0.0072 0.0388 0.0692
Echinococcus granulosus GPCR family 2 0.0072 0.039 0.039
Brugia malayi Muscleblind-like protein 0.018 0.1109 0.1967
Echinococcus multilocularis protein dispatched 1 0.0055 0.0279 0.0279
Mycobacterium tuberculosis Probable oxidoreductase 0.0143 0.0858 0.152
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0064 0.0064
Echinococcus granulosus Niemann Pick C1 protein 0.0161 0.0982 0.0982
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0233 0.0233
Schistosoma mansoni importin beta-1 0.0029 0.0106 0.0105
Loa Loa (eye worm) hypothetical protein 0.0213 0.1326 0.2364
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0063 0.0329 1
Echinococcus granulosus sodium bile acid cotransporter 0.0859 0.5608 0.5608
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0027 0.0027
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0201 0.8294
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0201 0.0296
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0278 0.0278
Echinococcus multilocularis protoporphyrinogen oxidase 0.0063 0.0329 0.0329
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0279 0.0485
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0357 1
Leishmania major pyruvate kinase 0.0034 0.0137 0.3169
Trypanosoma cruzi UDP-galactopyranose mutase 0.0063 0.0329 0.9199
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0214 0.1329 0.1329
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0042 0.0772
Toxoplasma gondii thioredoxin reductase 0.0056 0.0285 0.6947
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0137 0.3561
Mycobacterium ulcerans monoamine oxidase 0.0063 0.0329 0.0497
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0042 0.0772
Brugia malayi intermediate filament protein 0.0027 0.0094 0.0154
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0055 0.0915
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0042 0.0772
Brugia malayi mbt repeat family protein 0.0048 0.0233 0.0403
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0055 0.0055
Brugia malayi Latrophilin receptor protein 2 0.0072 0.039 0.0683
Echinococcus multilocularis geminin 0.0169 0.103 0.103
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0055 0.0085
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0042 0.0687
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0055 0.0743
Loa Loa (eye worm) hypothetical protein 0.0063 0.0329 0.0587
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0042 0.0772
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0201 0.0275
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0233 0.0232
Echinococcus multilocularis Niemann Pick C1 protein 0.0161 0.0982 0.0982
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0137 0.0244
Echinococcus granulosus snurportin 1 0.0312 0.1984 0.1984
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0278 0.0276
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0069 0.0227
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0042 0.0687
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0064 0.0062
Echinococcus multilocularis neuropeptide receptor A26 0.0546 0.3533 0.3533
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0357 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0357 0.0623
Brugia malayi latrophilin 2 splice variant baaae 0.0156 0.0944 0.1673
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0201 0.0358
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0201 0.0296
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0111 0.2774
Schistosoma mansoni hypothetical protein 0.0021 0.0051 0.005
Plasmodium vivax hypothetical protein, conserved 0.0063 0.0329 1
Toxoplasma gondii histone lysine-specific demethylase 0.0063 0.0329 0.8127
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0055 0.0098
Brugia malayi CHE-14 protein 0.0048 0.0234 0.0404
Echinococcus multilocularis thioredoxin glutathione reductase 0.0056 0.0285 0.0285
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0399 0.0665
Trypanosoma cruzi trypanothione reductase, putative 0.0056 0.0285 0.7916
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0214 0.1329 0.2361
Loa Loa (eye worm) hypothetical protein 0.0043 0.0201 0.0358
Mycobacterium leprae Probable lipase LipE 0.0043 0.0201 0.0886
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0278 0.0278
Loa Loa (eye worm) transcription factor SMAD2 0.0142 0.0854 0.1523
Echinococcus granulosus lysine specific histone demethylase 1A 0.0063 0.0329 0.0329
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0042 0.0687
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0056 0.0285 0.0454
Loa Loa (eye worm) hypothetical protein 0.0043 0.0201 0.0358
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0002 0.0002
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0278 0.0278
Loa Loa (eye worm) MBCTL1 0.0055 0.0278 0.0495
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0399 0.0399
Loa Loa (eye worm) hypothetical protein 0.0063 0.0329 0.0587
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0191 0.1177 0.1177
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0357 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0042 0.1288
Loa Loa (eye worm) hypothetical protein 0.0228 0.1422 0.2535
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0106 0.0106
Mycobacterium tuberculosis Probable dehydrogenase 0.0128 0.0763 0.1343
Schistosoma mansoni amine oxidase 0.0063 0.0329 0.0328
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0201 0.8294
Schistosoma mansoni hypothetical protein 0.0169 0.103 0.1029
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0137 0.0078
Echinococcus granulosus pyruvate kinase 0.0034 0.0137 0.0137
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0201 0.5742
Onchocerca volvulus 0.0043 0.0201 0.0194
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0399 1
Onchocerca volvulus 0.0063 0.0329 0.0427
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0042 0.0467
Loa Loa (eye worm) hypothetical protein 0.0063 0.0329 0.0587
Echinococcus multilocularis pyruvate kinase 0.0017 0.0028 0.0028
Schistosoma mansoni pyruvate kinase 0.0017 0.0028 0.0026
Trichomonas vaginalis esterase, putative 0.0043 0.0201 0.8294
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0031 0.0056
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0137 0.0231
Loa Loa (eye worm) hypothetical protein 0.0043 0.0201 0.0358
Echinococcus multilocularis pyruvate kinase 0.0034 0.0137 0.0137
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0128 0.0763 0.1343
Loa Loa (eye worm) hypothetical protein 0.0059 0.0306 0.0545
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0278 0.0278
Schistosoma mansoni amine oxidase 0.0063 0.0329 0.0328
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0399 0.0617
Echinococcus granulosus Niemann Pick C1 protein 0.0113 0.0661 0.0661
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0042 0.0687
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0357 0.8899
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0111 0.2811
Echinococcus multilocularis expressed conserved protein 0.0106 0.0615 0.0615
Echinococcus multilocularis pyruvate kinase 0.0017 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0039 0.0171 0.0304
Schistosoma mansoni bromodomain containing protein 0.0064 0.0338 0.0337
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0201 0.0201
Leishmania major hypothetical protein, conserved 0.003 0.0111 0.2502
Schistosoma mansoni lamin 0.0027 0.0094 0.0092
Echinococcus granulosus muscleblind protein 0.018 0.1109 0.1109
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0137 0.0231
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0042 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0191 0.1177 0.1177
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0233 0.0253
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0201 0.8294
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0042 0.0772
Loa Loa (eye worm) MH2 domain-containing protein 0.0142 0.0854 0.1523
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0214 0.1329 0.1328
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.083 0.5415 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0111 0.2811
Mycobacterium ulcerans lipase LipD 0.0043 0.0201 0.0275
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0228 0.1422 0.2535
Mycobacterium tuberculosis Conserved protein 0.0043 0.0201 0.0296
Plasmodium falciparum importin beta, putative 0.0029 0.0106 0.2613
Onchocerca volvulus Huntingtin homolog 0.0148 0.0894 0.1451
Echinococcus granulosus lysine specific histone demethylase 1A 0.0063 0.0329 0.0329
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0042 0.0772
Schistosoma mansoni hypothetical protein 0.0047 0.0222 0.022
Schistosoma mansoni intermediate filament proteins 0.0027 0.0094 0.0092
Brugia malayi beta-lactamase family protein 0.0043 0.0201 0.0345
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0055 0.0055
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.007 0.1594
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0892 0.5832 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0929 0.6076 0.6076
Leishmania major UDP-galactopyranose mutase 0.0063 0.0329 0.8187
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0055 0.0915
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0201 0.0199
Echinococcus multilocularis muscleblind protein 0.018 0.1109 0.1109
Schistosoma mansoni hypothetical protein 0.0072 0.039 0.0388
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0042 0.0467
Schistosoma mansoni patched 1 0.0048 0.0234 0.0232
Loa Loa (eye worm) hypothetical protein 0.0148 0.0894 0.1594
Plasmodium falciparum thioredoxin reductase 0.0056 0.0285 0.8549
Echinococcus multilocularis 0.0063 0.0329 0.0329
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0214 0.1329 0.1329
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0214 0.1329 0.1329
Echinococcus granulosus pyruvate kinase 0.0017 0.0028 0.0028
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0063 0.0329 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0063 0.0329 0.2667
Echinococcus granulosus pyruvate kinase 0.0034 0.0137 0.0137
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0042 0.0772
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0278 0.0483
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0055 0.2525
Trypanosoma brucei trypanothione reductase 0.0056 0.0285 0.7916
Leishmania major importin beta-1 subunit, putative 0.0024 0.007 0.1418
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0399 0.0397
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0137 0.0078
Leishmania major pyruvate kinase 0.0034 0.0137 0.3169
Loa Loa (eye worm) hypothetical protein 0.0063 0.0329 0.0587
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0063 0.0329 1
Leishmania major trypanothione reductase 0.0056 0.0285 0.7045
Loa Loa (eye worm) hypothetical protein 0.0048 0.0234 0.0416
Schistosoma mansoni survival motor neuron protein 0.0055 0.0279 0.0277
Loa Loa (eye worm) hypothetical protein 0.0024 0.0069 0.0123
Plasmodium vivax hypothetical protein, conserved 0.0063 0.0329 1
Schistosoma mansoni zinc finger protein 0.0016 0.0015 0.0014
Echinococcus granulosus lamin dm0 0.0027 0.0094 0.0094
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0201 0.0201
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0214 0.1329 0.1328
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0399 0.0399
Onchocerca volvulus 0.0043 0.0201 0.0194
Brugia malayi Calcitonin receptor-like protein seb-1 0.0228 0.1422 0.2525
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0201 0.5435
Brugia malayi amine oxidase, flavin-containing family protein 0.0063 0.0329 0.0575
Onchocerca volvulus 0.0048 0.0233 0.0253
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0137 0.2943
Brugia malayi beta-lactamase family protein 0.0043 0.0201 0.0345
Giardia lamblia Pyruvate kinase 0.0034 0.0137 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0199 0.0356
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0027 0.0026
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0042 0.0379
Loa Loa (eye worm) glutathione reductase 0.0056 0.0285 0.0509
Echinococcus granulosus sodium bile acid cotransporter 0.0859 0.5608 0.5608
Loa Loa (eye worm) hypothetical protein 0.0041 0.0187 0.0333
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0201 0.0296
Echinococcus multilocularis GPCR, family 2 0.0072 0.039 0.039
Chlamydia trachomatis pyruvate kinase 0.0034 0.0137 0.331
Plasmodium falciparum protoporphyrinogen oxidase 0.0063 0.0329 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0094 0.0167
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0357 0.0357
Chlamydia trachomatis protoporphyrinogen oxidase 0.0063 0.0329 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0329 0.0587
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0357 0.0355
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.001 0.0004
Mycobacterium tuberculosis Probable reductase 0.0128 0.0763 0.1343
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0042 0.0772
Echinococcus granulosus zinc finger protein 0.002 0.0044 0.0044
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0201 0.0886
Echinococcus multilocularis pyruvate kinase 0.0034 0.0137 0.0137
Echinococcus multilocularis zinc finger protein 0.002 0.0044 0.0044
Onchocerca volvulus 0.0043 0.0201 0.0194
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0042 0.0042
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0128 0.0763 0.8684
Echinococcus multilocularis microtubule associated protein 2 0.1521 1 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.0137 0.3561
Loa Loa (eye worm) hypothetical protein 0.0148 0.0894 0.1594
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0201 0.0296
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0228 0.1422 0.2525
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0027 0.0026
Brugia malayi Thioredoxin reductase 0.0056 0.0285 0.0497
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0137 0.0244
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0042 0.0467
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0154 0.0154
Brugia malayi N-terminal motif family protein 0.0213 0.1326 0.2354
Echinococcus multilocularis sterol regulatory element binding protein 0.0048 0.0234 0.0234
Mycobacterium ulcerans beta-lactamase 0.0043 0.0201 0.0275
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0399 0.0617
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0063 0.0329 0.0328
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0106 0.2123

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 17.7828 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 (binding) 28.1838 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 Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] 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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