Detailed information for compound 18677

Basic information

Technical information
  • TDR Targets ID: 18677
  • Name: methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoa te
  • MW: 222.237 | Formula: C12H14O4
  • H donors: 0 H acceptors: 1 LogP: 2.14 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)/C=C/c1ccc(c(c1)OC)OC
  • InChi: 1S/C12H14O4/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4-8H,1-3H3/b7-5+
  • InChiKey: JXRYDOZRPYFBKO-FNORWQNLSA-N  

Network

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Synonyms

  • (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid methyl ester
  • (E)-3-(3,4-dimethoxyphenyl)acrylic acid methyl ester
  • methyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
  • 3-(3,4-dimethoxyphenyl)prop-2-enoic acid methyl ester
  • (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid methyl ester
  • 3-(3,4-dimethoxyphenyl)acrylic acid methyl ester
  • 5396-64-5
  • AI3-23964
  • Cinnamic acid, 3,4-dimethoxy-, methyl ester (8CI)
  • Methyl 3,4-dimethyoxycinnamate
  • NSC 4331
  • 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester, trans
  • ARONIS002706
  • ZINC00243581
  • 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester
  • 3,4-O-Dimethylcaffeic acid methyl ester
  • Cinnamic acid, 3,4-dimethoxy-, methyl ester
  • Methyl 3,4-dimethoxycinnamate
  • NSC4331
  • 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester (9CI)
  • A1147/0053653

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) blistered cuticle protein 3 0.0026 0.0111 0.0766
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0098 0.0608 0.0102
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.024 0.191
Brugia malayi steroid hormone receptor 0.0021 0.0075 0.0518
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0088 0.054 0.0722
Brugia malayi Glutamate receptor 2 precursor 0.0216 0.1427 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0115 0.0729 0.4581
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.1045 0.7162 1
Echinococcus multilocularis glutamate receptor 2 0.0194 0.1274 0.8018
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0075 0.0556
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0075 0.0518
Toxoplasma gondii NADPH-glutathione reductase 0.0013 0.0024 0.0088
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0075 0.0556
Echinococcus multilocularis peroxidasin 0.0026 0.0111 0.0688
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.041 0.277 0.2753
Loa Loa (eye worm) hypothetical protein 0.0023 0.0093 0.0637
Plasmodium falciparum thioredoxin reductase 0.0039 0.0198 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0038
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0198 0.2511
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0075 0.0461
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0075 0.0518
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0075 0.0556
Loa Loa (eye worm) glutamate receptor 0.0023 0.0093 0.0637
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0045 0.0246 0.1539
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0187 0.1224 0.77
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0098 0.0608 0.0817
Onchocerca volvulus 0.0026 0.0111 0.0236
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0075 0.0513
Brugia malayi hypothetical protein 0.0026 0.0111 0.0771
Leishmania major hypothetical protein, conserved 0.0026 0.011 0.4894
Onchocerca volvulus 0.0029 0.0134 0.0385
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0115 0.0729 0.4581
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0075 0.0518
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0075 0.0513
Loa Loa (eye worm) hypothetical protein 0.0023 0.0093 0.0637
Schistosoma mansoni tyrosine kinase 0.0023 0.0093 0.0702
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0023 0.0093 0.0643
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0075 0.0461
Echinococcus granulosus voltage dependent calcium channel 0.0039 0.0202 0.1262
Loa Loa (eye worm) hypothetical protein 0.0124 0.0791 0.5538
Loa Loa (eye worm) hypothetical protein 0.0039 0.0202 0.1404
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0202 0.1259
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0075 0.0518
Brugia malayi metabotropic glutamate receptor type 2 0.0023 0.0093 0.0643
Brugia malayi hypothetical protein 0.0156 0.1012 0.7086
Loa Loa (eye worm) hypothetical protein 0.0023 0.0093 0.0637
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1455 1 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0187 0.1224 0.77
Loa Loa (eye worm) hypothetical protein 0.0021 0.0075 0.0513
Loa Loa (eye worm) hypothetical protein 0.0021 0.0075 0.0513
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0075 0.0518
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0045 0.0246 0.1539
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0075 0.0461
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0075 0.0461
Loa Loa (eye worm) RGC/RGC protein kinase 0.0023 0.0093 0.0637
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.0198 0.1376
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0239 0.1588 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0187 0.1224 0.77
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0075 0.0518
Echinococcus granulosus receptor type guanylyl cyclase 0.0023 0.0093 0.0573
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0092 0.0568 0.3565
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1455 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0075 0.0518
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0012 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0075 0.0518
Onchocerca volvulus 0.0156 0.1012 0.6122
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0135 0.0834
Schistosoma mansoni ATP-binding cassette transporter 0.0092 0.0568 0.4606
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0115 0.0729 0.4581
Schistosoma mansoni hypothetical protein 0.0045 0.0246 0.1962
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0075 0.0518
Loa Loa (eye worm) voltage-dependent calcium channel 0.0039 0.0202 0.1404
Toxoplasma gondii hypothetical protein 0.0034 0.017 0.0613
Schistosoma mansoni voltage-gated cation channel 0.0187 0.1224 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.024 0.191
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Onchocerca volvulus 0.0026 0.0111 0.0236
Echinococcus granulosus glutamate receptor 1 0.0124 0.0791 0.4975
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0115 0.0729 0.4581
Brugia malayi hypothetical protein 0.0017 0.0047 0.0316
Mycobacterium tuberculosis Probable reductase 0.0088 0.054 0.0722
Mycobacterium tuberculosis Probable dehydrogenase 0.0088 0.054 0.0722
Giardia lamblia NADH oxidase lateral transfer candidate 0.0013 0.0024 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0038
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0088 0.054 0.0722
Loa Loa (eye worm) hypothetical protein 0.0023 0.0093 0.0637
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0187 0.1224 0.77
Brugia malayi Receptor family ligand binding region containing protein 0.0023 0.0093 0.0643
Brugia malayi glutathione reductase 0.0039 0.0198 0.1381
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0134 0.0926
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0023 0.0093 0.0573
Echinococcus multilocularis glutamate receptor subunit protein glur 0.017 0.1106 0.6957
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0075 0.0518
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0008 0.0034
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0075 0.0518
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0111 0.0766
Leishmania major extracellular receptor, putative 0.0023 0.0093 0.3952
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0023 0.0093 0.0573
Brugia malayi Pre-SET motif family protein 0.0031 0.0147 0.1018
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0111 0.0766
Loa Loa (eye worm) hypothetical protein 0.0023 0.0093 0.0637
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0075 0.0461
Schistosoma mansoni coup transcription factor 0.0021 0.0075 0.0556
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0147 0.1143
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0187 0.1224 1
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0075 0.0556
Trichomonas vaginalis mercuric reductase, putative 0.0013 0.0024 0.0152
Echinococcus granulosus cpg binding protein 0.0031 0.0146 0.0905
Chlamydia trachomatis glutamine binding protein 0.0093 0.0575 0.0552
Echinococcus granulosus metabotropic glutamate receptor 2 0.0023 0.0093 0.0573
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0075 0.0461
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0075 0.0556
Brugia malayi Pre-SET motif family protein 0.0212 0.1402 0.9825
Schistosoma mansoni glutamate receptor kainate 0.0092 0.0568 0.4606
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0079 0.048 0.3011
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0111 0.0766
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0075 0.0513
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0075 0.0556
Echinococcus granulosus nmda type glutamate receptor 0.0138 0.089 0.5595
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0075 0.0461
Schistosoma mansoni metabotropic glutamate receptor 0.0023 0.0093 0.0702
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0024 0.016
Mycobacterium tuberculosis Probable oxidoreductase 0.0098 0.0608 0.0817
Brugia malayi Metabotropic glutamate receptor precursor. 0.0023 0.0093 0.0643
Echinococcus multilocularis nmda type glutamate receptor 0.0138 0.089 0.5595
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0075 0.0518
Onchocerca volvulus 0.0031 0.0147 0.0466
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0098 0.0608 0.0817
Brugia malayi hypothetical protein 0.0011 0.0008 0.0044
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0075 0.0513
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0075 0.0513
Echinococcus multilocularis cpg binding protein 0.0031 0.0146 0.0905
Schistosoma mansoni hypothetical protein 0.0175 0.1143 0.9336
Loa Loa (eye worm) hypothetical protein 0.0021 0.0075 0.0513
Loa Loa (eye worm) hypothetical protein 0.0023 0.0093 0.0637
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.0198 0.0244
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.011 0.0395
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0075 0.0461
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0024 0.0139
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.024 0.1498
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0075 0.0513
Trypanosoma brucei trypanothione reductase 0.0039 0.0198 0.2511
Loa Loa (eye worm) glutamate receptor 1 0.0216 0.1427 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0088 0.054 0.0722
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0111 0.0766
Loa Loa (eye worm) hypothetical protein 0.0023 0.0093 0.0637
Trichomonas vaginalis set domain proteins, putative 0.0242 0.1605 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0075 0.0461
Loa Loa (eye worm) hypothetical protein 0.0021 0.0075 0.0513
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.011 0.1229
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0202 0.1259
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0075 0.0556
Onchocerca volvulus Dual oxidase homolog 0.0026 0.0111 0.0236
Loa Loa (eye worm) hypothetical protein 0.0021 0.0075 0.0513
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0187 0.1224 0.77
Trichomonas vaginalis glutathione reductase, putative 0.0013 0.0024 0.0152
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0187 0.1224 0.77
Brugia malayi nuclear receptor RXR 0.0011 0.0008 0.0044
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0114 0.0718 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0239 0.1588 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0008 0.0038
Brugia malayi hypothetical protein 0.0026 0.011 0.0758
Loa Loa (eye worm) hypothetical protein 0.0156 0.1012 0.7084
Echinococcus multilocularis sodium channel protein 0.0079 0.048 0.3011
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0115 0.0729 0.4581
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0075 0.0518
Loa Loa (eye worm) hypothetical protein 0.0187 0.1224 0.8571
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0075 0.0556
Echinococcus multilocularis receptor type guanylyl cyclase 0.0023 0.0093 0.0573
Brugia malayi CXXC zinc finger family protein 0.0029 0.0134 0.0931
Echinococcus granulosus tyrosine kinase 0.0023 0.0093 0.0573
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0075 0.0518
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.011 0.4894
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0075 0.0461
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0075 0.0556
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0114 0.0718 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0038
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0045 0.0246 0.1539
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.041 0.277 1
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.1045 0.7162 1
Loa Loa (eye worm) RGC/RGC protein kinase 0.0023 0.0093 0.0637
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Schistosoma mansoni hypothetical protein 0.0012 0.0012 0.0032
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0008 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0075 0.0518
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.024 0.1498
Schistosoma mansoni peroxidasin 0.0026 0.0111 0.0853
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0075 0.0461
Plasmodium vivax SET domain protein, putative 0.0031 0.0147 0.7027
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0038
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0045 0.0246 0.1539
Schistosoma mansoni hypothetical protein 0.0175 0.1143 0.9336
Loa Loa (eye worm) hypothetical protein 0.0021 0.0075 0.0513
Schistosoma mansoni cpg binding protein 0.0031 0.0146 0.1135
Loa Loa (eye worm) hypothetical protein 0.0023 0.0093 0.0637
Onchocerca volvulus 0.0023 0.0093 0.0116
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0023 0.0093 0.0573
Onchocerca volvulus 0.0026 0.0111 0.0236
Loa Loa (eye worm) glutamate receptor 2 0.0092 0.0568 0.3969
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0187 0.1224 0.77
Echinococcus multilocularis voltage dependent calcium channel 0.0187 0.1224 0.77
Brugia malayi Guanylyl cyclase protein 23 0.0023 0.0093 0.0643
Entamoeba histolytica hypothetical protein 0.0023 0.0093 0.5
Echinococcus granulosus glutamate receptor 4 0.0124 0.0791 0.4975
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0023 0.0093 0.0116
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0323 0.1166
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0093 0.0575 0.0552
Onchocerca volvulus 0.0242 0.1605 1
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.041 0.277 0.3368
Echinococcus multilocularis NMDA receptor 0.0045 0.0246 0.1539
Loa Loa (eye worm) calcium channel 0.0187 0.1224 0.8571
Onchocerca volvulus Peroxidasin homolog 0.0026 0.0111 0.0236
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0147 0.053
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.024 0.1498
Echinococcus multilocularis tyrosine kinase 0.0023 0.0093 0.0573
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0075 0.0461
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0147 0.1143
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0023 0.0093 0.0637
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0075 0.0461
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0187 0.1224 0.8572
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0045 0.0246 0.1539
Loa Loa (eye worm) RGC/RGC protein kinase 0.0023 0.0093 0.0637
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0138 0.089 0.5595
Brugia malayi Blistered cuticle protein 3 0.0026 0.0111 0.0771
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0147 0.1143
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0147 0.1143
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0093 0.0575 0.0552
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0075 0.0513
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.024 0.191
Loa Loa (eye worm) hypothetical protein 0.0021 0.0075 0.0513
Loa Loa (eye worm) hypothetical protein 0.0034 0.017 0.1176
Brugia malayi nuclear receptor NHR-88 0.0021 0.0075 0.0518
Brugia malayi Thioredoxin reductase 0.0039 0.0198 0.1381
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0075 0.0461
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0111 0.0771
Loa Loa (eye worm) hypothetical protein 0.0031 0.0147 0.1013
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0111 0.0771
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0008 0.0034
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0093 0.0575 0.0552
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.011 0.4894
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0024 0.0139
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0093 0.0575 0.0552
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0147 0.091
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0147 0.091
Leishmania major trypanothione reductase 0.0039 0.0198 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0075 0.0461
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0012 0.0059
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0075 0.0556
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0369 0.2969
Echinococcus multilocularis geminin 0.0175 0.1143 0.7191
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Brugia malayi hypothetical protein 0.0011 0.0008 0.0044
Brugia malayi nuclear hormone receptor 0.0021 0.0075 0.0518
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0088 0.054 0.0722
Schistosoma mansoni glutamate receptor AMPA 0.0092 0.0568 0.4606
Echinococcus granulosus peroxidasin 0.0026 0.0111 0.0688
Echinococcus multilocularis nmda type glutamate receptor 0.0023 0.0093 0.0573
Echinococcus multilocularis glutamate receptor 4 0.0124 0.0791 0.4975
Brugia malayi Receptor family ligand binding region containing protein 0.0023 0.0093 0.0643
Echinococcus granulosus glutamate receptor 2 0.0239 0.1588 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.1402 0.9825
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0111 0.0771
Echinococcus multilocularis voltage dependent calcium channel 0.0187 0.1224 0.77
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0111 0.0771
Plasmodium vivax glutathione reductase, putative 0.0039 0.0198 1
Brugia malayi Peroxidasin 0.0026 0.0111 0.0771
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0075 0.0461
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0024 0.0136
Schistosoma mansoni tyrosine kinase 0.0023 0.0093 0.0702
Schistosoma mansoni peroxidasin 0.0026 0.0111 0.0853
Loa Loa (eye worm) hypothetical protein 0.0124 0.0791 0.5538
Echinococcus granulosus nmda type glutamate receptor 0.0023 0.0093 0.0573
Onchocerca volvulus 0.0023 0.0093 0.0116
Schistosoma mansoni protein kinase 0.0023 0.0093 0.0702
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.024 0.1668
Loa Loa (eye worm) hypothetical protein 0.0034 0.017 0.1176
Brugia malayi Glutamate receptor 1 precursor 0.0216 0.1427 1
Brugia malayi ecdysteroid receptor 0.0021 0.0075 0.0518
Echinococcus granulosus metabotropic glutamate receptor 5 0.0023 0.0093 0.0573
Schistosoma mansoni glutamate receptor NMDA 0.0115 0.0729 0.5932
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0075 0.0513
Schistosoma mansoni glutamate receptor AMPA 0.0092 0.0568 0.4606
Loa Loa (eye worm) hypothetical protein 0.0026 0.011 0.0752
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0038
Schistosoma mansoni glutamate receptor NMDA 0.0092 0.0568 0.4606
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0093 0.0575 0.0772
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0075 0.0556
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0147 0.091
Echinococcus granulosus atrial natriuretic peptide receptor 0.0023 0.0093 0.0573
Schistosoma mansoni cpg binding protein 0.0029 0.0134 0.1041
Schistosoma mansoni metabotropic glutamate receptor 0.0023 0.0093 0.0702
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.011 0.1229
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.024 0.1498
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.011 0.4894
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0115 0.0729 0.4581
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0111 0.0771
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0008 0.0044
Onchocerca volvulus Peroxidase homolog 0.0026 0.0111 0.0236
Trypanosoma cruzi extracellular receptor, putative 0.0023 0.0093 0.0992
Loa Loa (eye worm) glutathione reductase 0.0039 0.0198 0.1376
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0075 0.0461
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.041 0.277 0.2753
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0766
Echinococcus multilocularis glutamate receptor 2 0.0216 0.1427 0.8984
Plasmodium falciparum glutathione reductase 0.0039 0.0198 1
Echinococcus granulosus glutamate receptor 2 0.0194 0.1274 0.8018
Onchocerca volvulus Chorion peroxidase homolog 0.0026 0.0111 0.0236
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0023 0.0093 0.0637
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1455 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0075 0.0518
Echinococcus granulosus glutamate receptor subunit protein glur 0.017 0.1106 0.6957
Echinococcus multilocularis glutamate receptor 2 0.0239 0.1588 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0075 0.0513
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0198 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.024 0.1672
Brugia malayi hypothetical protein 0.0023 0.0093 0.0643
Schistosoma mansoni cpg binding protein 0.0031 0.0146 0.1135
Onchocerca volvulus Peroxidase homolog 0.0026 0.0111 0.0236
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0013 0.0024 0.0088
Onchocerca volvulus Peroxidasin homolog 0.0026 0.0111 0.0236
Toxoplasma gondii thioredoxin reductase 0.0039 0.0198 0.0716
Echinococcus granulosus geminin 0.0175 0.1143 0.7191
Echinococcus granulosus voltage dependent calcium channel 0.0187 0.1224 0.77
Echinococcus granulosus glutamate NMDA receptor subunit 0.0092 0.0568 0.3565
Loa Loa (eye worm) hypothetical protein 0.0124 0.0791 0.5538
Schistosoma mansoni glutamate receptor kainate 0.0092 0.0568 0.4606
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0023 0.0093 0.0637
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0075 0.0556
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.011 0.1229
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0075 0.0461
Schistosoma mansoni glutamate receptor kainate 0.0092 0.0568 0.4606
Loa Loa (eye worm) hypothetical protein 0.0023 0.0093 0.0637
Toxoplasma gondii transporter, cation channel family protein 0.0039 0.0202 0.0731
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0187 0.1224 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 30 ug ml-1 Inhibitory concentration against B16 murine melanoma cell line ChEMBL. 11354370
IC50 (functional) > 30 ug ml-1 Inhibitory concentration against HCT 116 human colon cancer cell line ChEMBL. 11354370
IC50 (functional) > 30 ug ml-1 Inhibitory concentration required against A 431 human epidermoid carcinoma cell line ChEMBL. 11354370
IC50 (functional) > 30 ug ml-1 Inhibitory concentration against B16 murine melanoma cell line ChEMBL. 11354370
IC50 (functional) > 30 ug ml-1 Inhibitory concentration against HCT 116 human colon cancer cell line ChEMBL. 11354370
IC50 (functional) > 30 ug ml-1 Inhibitory concentration required against A 431 human epidermoid carcinoma cell line ChEMBL. 11354370

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

1 literature reference was collected for this gene.

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