Detailed information for compound 621018

Basic information

Technical information
  • TDR Targets ID: 621018
  • Name: ethyl 2-[3-(3,4-dimethoxyphenyl)-4-methyl-2-o xochromen-6-yl]oxyacetate
  • MW: 398.406 | Formula: C22H22O7
  • H donors: 0 H acceptors: 2 LogP: 3.66 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)COc1ccc2c(c1)c(C)c(c(=O)o2)c1ccc(c(c1)OC)OC
  • InChi: 1S/C22H22O7/c1-5-27-20(23)12-28-15-7-9-17-16(11-15)13(2)21(22(24)29-17)14-6-8-18(25-3)19(10-14)26-4/h6-11H,5,12H2,1-4H3
  • InChiKey: KTZLVGFBMMXNHV-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 2-[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-chromen-6-yl]oxyacetate
  • 2-[[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-6-chromenyl]oxy]acetic acid ethyl ester
  • 2-[3-(3,4-dimethoxyphenyl)-2-keto-4-methyl-chromen-6-yl]oxyacetic acid ethyl ester
  • ethyl 2-[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-chromen-6-yl]oxyethanoate
  • ZINC04340681

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0213 0.1596
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0261 0.3149 0.5145
Echinococcus multilocularis tar DNA binding protein 0.0261 0.3149 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0221 0.0139
Brugia malayi MH1 domain containing protein 0.0018 0.0028 0.0046
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0086 0.0896 1
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0023 0.0083 0.0136
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0083 0.0194
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.1164 0.1901
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0313 0.0232
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.0359 0.0898
Brugia malayi RNA recognition motif domain containing protein 0.0261 0.3149 0.5145
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0086 0.0896 0.2943
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.0243 0.055
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0221 0.045
Loa Loa (eye worm) MH2 domain-containing protein 0.0491 0.6122 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0097 0.0168
Echinococcus granulosus GPCR family 2 0.0034 0.0224 0.0461
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0086 0.0896 0.2943
Trypanosoma brucei NADH dehydrogenase 0.0023 0.0083 0.0194
Plasmodium falciparum glutathione reductase 0.0247 0.2981 1
Plasmodium falciparum glutathione reductase 0.0086 0.0896 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0086 0.0896 0.2803
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0564 0.7069 0.8958
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0171 0.1085
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0086 0.0896 1
Schistosoma mansoni tar DNA-binding protein 0.0261 0.3149 0.3092
Mycobacterium tuberculosis Probable dehydrogenase 0.0564 0.7069 0.8958
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0023 0.0083 0.0194
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0627 0.7881 1
Treponema pallidum NADH oxidase 0.0086 0.0896 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0213 0.1596
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0086 0.0896 1
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0023 0.0083 0.0136
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0063 0.0602 0.0983
Echinococcus multilocularis smad 0.0033 0.0221 0.045
Echinococcus granulosus lamin 0.003 0.0182 0.0323
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0023 0.0083 0.0194
Loa Loa (eye worm) Smad1 0.0033 0.0221 0.0361
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0086 0.0896 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0086 0.0896 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0213 0.1596
Schistosoma mansoni hypothetical protein 0.0034 0.0224 0.0142
Schistosoma mansoni tar DNA-binding protein 0.0261 0.3149 0.3092
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.0359 0.1126
Loa Loa (eye worm) hypothetical protein 0.003 0.0182 0.0298
Schistosoma mansoni smad 0.0033 0.0221 0.0139
Loa Loa (eye worm) TAR-binding protein 0.0261 0.3149 0.5145
Loa Loa (eye worm) hypothetical protein 0.0023 0.0083 0.0136
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0086 0.0896 0.2803
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0063 0.0602 0.0983
Brugia malayi glutamate synthase 0.0023 0.0083 0.0136
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.0359 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.0243 0.055
Echinococcus multilocularis lamin 0.003 0.0182 0.0323
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0086 0.0896 0.2803
Brugia malayi MH1 domain containing protein 0.0018 0.0028 0.0046
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.0359 0.0278
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0213 0.1596
Loa Loa (eye worm) hypothetical protein 0.0034 0.0224 0.0367
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0213 0.1596
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0313 0.075
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.0729 0.1191
Loa Loa (eye worm) intermediate filament protein 0.003 0.0182 0.0298
Trichomonas vaginalis glutathione reductase, putative 0.0086 0.0896 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0086 0.0896 0.2803
Trypanosoma cruzi trypanothione reductase, putative 0.0247 0.2981 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0221 0.045
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0243 0.0733
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0247 0.2981 0.3716
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0359 0.339
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.0359 0.0898
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0086 0.0896 0.2803
Brugia malayi Smad1 0.0033 0.0221 0.0361
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0086 0.0896 0.0819
Onchocerca volvulus 0.003 0.0182 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0097 0.0168
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0086 0.0896 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0086 0.0896 0.2943
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.1164 0.1901
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.0359 0.0586
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0086 0.0896 0.1042
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0086 0.0896 0.2803
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.1164 0.1901
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0086 0.0896 0.2803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0359 0.339
Loa Loa (eye worm) hypothetical protein 0.0073 0.0729 0.1191
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0564 0.7069 0.8958
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0023 0.0083 0.0136
Mycobacterium tuberculosis Probable oxidoreductase 0.0627 0.7881 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1164 0.1901
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0242 0.1957
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0213 0.0447
Schistosoma mansoni smad1 5 8 and 0.0033 0.0221 0.0139
Trypanosoma brucei trypanothione reductase 0.0247 0.2981 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0359 0.339
Mycobacterium tuberculosis Probable reductase 0.0564 0.7069 0.8958
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0086 0.0896 0.2649
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0023 0.0083 0.0194
Schistosoma mansoni lamin 0.003 0.0182 0.01
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0221 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0159 0.0933
Entamoeba histolytica hypothetical protein 0.0041 0.0313 0.8355
Loa Loa (eye worm) nuclear factor I 0.0018 0.0028 0.0046
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0023 0.0083 0.0136
Echinococcus granulosus tar DNA binding protein 0.0261 0.3149 1
Plasmodium falciparum thioredoxin reductase 0.0247 0.2981 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0564 0.7069 0.8958
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0096 0.0163
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0242 0.1957
Toxoplasma gondii thioredoxin reductase 0.0247 0.2981 1
Leishmania major trypanothione reductase 0.0247 0.2981 1
Brugia malayi MH2 domain containing protein 0.0491 0.6122 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0221 0.045
Loa Loa (eye worm) hypothetical protein 0.0018 0.0028 0.0046
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0086 0.0896 0.2803
Plasmodium falciparum thioredoxin reductase 0.0086 0.0896 0.2803
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0086 0.0896 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0086 0.0896 0.2803
Echinococcus multilocularis GPCR, family 2 0.0034 0.0224 0.0461
Giardia lamblia NADH oxidase lateral transfer candidate 0.0086 0.0896 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0224 0.0461
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0224 0.0367
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0242 0.1957
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0213 0.1596
Echinococcus multilocularis thioredoxin glutathione reductase 0.025 0.3014 0.9559
Loa Loa (eye worm) thioredoxin reductase 0.0247 0.2981 0.4869
Loa Loa (eye worm) hypothetical protein 0.003 0.0175 0.0286
Schistosoma mansoni tar DNA-binding protein 0.0261 0.3149 0.3092
Echinococcus multilocularis lamin dm0 0.003 0.0182 0.0323
Brugia malayi MH1 domain containing protein 0.0033 0.0221 0.0361
Schistosoma mansoni smad1 5 8 and 0.0033 0.0221 0.0139
Echinococcus granulosus intermediate filament protein 0.003 0.0182 0.0323
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.0359 0.1126
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.0359 0.095
Toxoplasma gondii NADPH-glutathione reductase 0.0086 0.0896 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0086 0.0896 0.2803
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0627 0.7881 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0224 0.0461
Schistosoma mansoni lamin 0.003 0.0182 0.01
Schistosoma mansoni smad1 5 8 and 0.0033 0.0221 0.0139
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0086 0.0896 1
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0182 0.0298
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0221 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0096 0.0163
Loa Loa (eye worm) RNA binding protein 0.0261 0.3149 0.5145
Brugia malayi TAR-binding protein 0.0261 0.3149 0.5145
Schistosoma mansoni Smad4 0.0033 0.0221 0.0139
Echinococcus granulosus thioredoxin glutathione reductase 0.025 0.3014 0.9559
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0564 0.7069 0.8958
Brugia malayi MH1 domain containing protein 0.0033 0.0221 0.0361
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.0359 0.095
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0126 0.053
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0086 0.0896 0.2803
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0182 0.0298
Loa Loa (eye worm) transcription factor SMAD2 0.0491 0.6122 1
Echinococcus multilocularis Smad4 0.0033 0.0221 0.045
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0086 0.0896 0.1463
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0059 0.0111
Trichomonas vaginalis mercuric reductase, putative 0.0086 0.0896 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0097 0.0168
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0564 0.7069 0.8958
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0086 0.0896 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0086 0.0896 0.2943
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.013 0.0572
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0224 0.0461
Giardia lamblia GTOR 0.0044 0.0359 0.339
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.0359 0.095
Entamoeba histolytica hypothetical protein 0.0041 0.0313 0.8355
Brugia malayi MH2 domain containing protein 0.0033 0.0221 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0126 0.053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0213 0.1596
Brugia malayi MH2 domain containing protein 0.0033 0.0221 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.013 0.0572
Plasmodium vivax glutathione reductase, putative 0.0247 0.2981 1
Echinococcus granulosus Smad4 0.0033 0.0221 0.045
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0224 0.0367
Plasmodium vivax thioredoxin reductase, putative 0.0247 0.2981 1
Brugia malayi glutathione reductase 0.0247 0.2981 0.4869
Schistosoma mansoni intermediate filament proteins 0.003 0.0182 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0242 0.1957
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.0359 0.095
Schistosoma mansoni tar DNA-binding protein 0.0261 0.3149 0.3092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.013 0.0572
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0023 0.0083 0.0194
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0275 0.2366
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0224 0.0461
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.0359 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0086 0.0896 1
Echinococcus granulosus lamin dm0 0.003 0.0182 0.0323
Entamoeba histolytica hypothetical protein 0.0041 0.0313 0.8355
Schistosoma mansoni hypothetical protein 0.0034 0.0224 0.0142
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0627 0.7881 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0242 0.1957
Brugia malayi hypothetical protein 0.0041 0.0313 0.0512
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0096 0.0163
Brugia malayi Thioredoxin reductase 0.0247 0.2981 0.4869
Schistosoma mansoni tar DNA-binding protein 0.0261 0.3149 0.3092
Trypanosoma cruzi trypanothione reductase, putative 0.0086 0.0896 0.2803
Schistosoma mansoni hypothetical protein 0.0073 0.0729 0.0651
Brugia malayi RNA binding protein 0.0261 0.3149 0.5145
Echinococcus multilocularis musashi 0.003 0.0182 0.0323
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.0359 0.0586
Onchocerca volvulus 0.003 0.0182 1
Schistosoma mansoni hypothetical protein 0.0041 0.0313 0.0232
Loa Loa (eye worm) glutathione reductase 0.0247 0.2981 0.4869
Brugia malayi intermediate filament protein 0.003 0.0182 0.0298
Entamoeba histolytica hypothetical protein 0.0041 0.0313 0.8355
Echinococcus granulosus smad 0.0033 0.0221 0.045
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0313 0.075
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0221 0.045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0097 0.0168
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0224 0.0367
Schistosoma mansoni hypothetical protein 0.0034 0.0224 0.0142
Schistosoma mansoni hypothetical protein 0.0034 0.0224 0.0142
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0086 0.0896 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0086 0.0896 0.2803
Loa Loa (eye worm) programmed cell death 8 0.0023 0.0083 0.0136
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0086 0.0896 0.2649

Activities

No activities found for this compound.

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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