Detailed information for compound 621046

Basic information

Technical information
  • TDR Targets ID: 621046
  • Name: ethyl 2-[3-(3,4-dimethoxyphenyl)-4-methyl-2-o xochromen-7-yl]oxypropanoate
  • MW: 412.432 | Formula: C23H24O7
  • H donors: 0 H acceptors: 2 LogP: 4.06 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(Oc1ccc2c(c1)oc(=O)c(c2C)c1ccc(c(c1)OC)OC)C
  • InChi: 1S/C23H24O7/c1-6-28-22(24)14(3)29-16-8-9-17-13(2)21(23(25)30-19(17)12-16)15-7-10-18(26-4)20(11-15)27-5/h7-12,14H,6H2,1-5H3
  • InChiKey: MDUQRNBJIUXZAB-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 2-[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-chromen-7-yl]oxypropanoate
  • 2-[[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-7-chromenyl]oxy]propanoic acid ethyl ester
  • 2-[3-(3,4-dimethoxyphenyl)-2-keto-4-methyl-chromen-7-yl]oxypropionic acid ethyl ester

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
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0253 0.1008 0.2945
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0253 0.1008 0.2945
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0067 0.0206 0.0673
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0253 0.1008 0.2803
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0048 0.0155
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.1669 0.7101 0.8958
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0067 0.0206 0.0342
Schistosoma mansoni sulfide quinone reductase 0.0067 0.0206 0.0206
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0067 0.0206 0.5
Echinococcus granulosus lamin dm0 0.0057 0.0161 0.0267
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0253 0.1008 0.1042
Loa Loa (eye worm) hypothetical protein 0.0026 0.003 0.0098
Echinococcus granulosus lamin 0.0057 0.0161 0.0267
Giardia lamblia NADH oxidase lateral transfer candidate 0.0253 0.1008 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0253 0.1008 0.2803
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0067 0.0206 0.0342
Echinococcus granulosus mothers against decapentaplegic 5 0.0043 0.0103 0.0171
Loa Loa (eye worm) intermediate filament protein 0.0057 0.0161 0.0525
Schistosoma mansoni smad1 5 8 and 0.0043 0.0103 0.0103
Loa Loa (eye worm) MH2 domain-containing protein 0.0043 0.0103 0.0336
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.1669 0.7101 0.8958
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0186 0.0718 0.2343
Schistosoma mansoni cellular tumor antigen P53 0.0208 0.0812 0.0812
Loa Loa (eye worm) hypothetical protein 0.0057 0.0161 0.0525
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.1855 0.7903 1
Plasmodium vivax glutathione reductase, putative 0.0732 0.3066 1
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0067 0.0206 0.0673
Loa Loa (eye worm) hypothetical protein 0.0208 0.0812 0.2648
Brugia malayi MH2 domain containing protein 0.0043 0.0103 0.0336
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0253 0.1008 0.2803
Onchocerca volvulus 0.0208 0.0812 1
Schistosoma mansoni smad1 5 8 and 0.0043 0.0103 0.0103
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0253 0.1008 0.2945
Loa Loa (eye worm) hypothetical protein 0.0027 0.0035 0.0113
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0205 0.0205
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0067 0.0206 0.0197
Echinococcus multilocularis glutamate synthase 0.0067 0.0206 0.0342
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0253 0.1008 0.2803
Echinococcus granulosus thioredoxin glutathione reductase 0.0741 0.3105 0.5148
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0067 0.0206 0.0342
Leishmania major trypanothione reductase 0.0732 0.3066 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0205 0.067
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0063 0.0187 0.0129
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0212 0.002
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0253 0.1008 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0212 0.002
Schistosoma mansoni glutamate synthase 0.0067 0.0206 0.0206
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0253 0.1008 0.2803
Trypanosoma cruzi hypothetical protein, conserved 0.0067 0.0206 0.0197
Leishmania major cathepsin L-like protease 0.0069 0.0212 0.002
Toxoplasma gondii NADPH-glutathione reductase 0.0253 0.1008 0.2803
Trichomonas vaginalis mercuric reductase, putative 0.0253 0.1008 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0043 0.0103 0.0171
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0253 0.1008 0.2945
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0067 0.0206 0.5
Plasmodium falciparum glutathione reductase 0.0732 0.3066 1
Brugia malayi Smad1 0.0043 0.0103 0.0336
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0067 0.0206 0.0197
Trypanosoma cruzi NADH dehydrogenase, putative 0.0067 0.0206 0.0197
Brugia malayi RNA binding protein 0.0067 0.0205 0.067
Onchocerca volvulus 0.0067 0.0206 0.2543
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0253 0.1008 0.2803
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0212 0.002
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0205 0.067
Trypanosoma cruzi cruzipain precursor, putative 0.0069 0.0212 0.0217
Trypanosoma cruzi trypanothione reductase, putative 0.0253 0.1008 0.2945
Loa Loa (eye worm) programmed cell death 8 0.0067 0.0206 0.0673
Onchocerca volvulus 0.0057 0.0161 0.1984
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0253 0.1008 0.3288
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0043 0.0103 0.0103
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0205 0.0205
Mycobacterium tuberculosis Probable reductase 0.1669 0.7101 0.8958
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0212 0.0217
Echinococcus multilocularis lamin dm0 0.0057 0.0161 0.0267
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0253 0.1008 0.2945
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0253 0.1008 0.2945
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0212 0.002
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0067 0.0206 0.0342
Mycobacterium tuberculosis Putative ferredoxin reductase 0.1669 0.7101 0.8958
Loa Loa (eye worm) RNA binding protein 0.0067 0.0205 0.067
Trichomonas vaginalis glutathione reductase, putative 0.0253 0.1008 1
Schistosoma mansoni lamin 0.0057 0.0161 0.0161
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0732 0.3066 0.3716
Loa Loa (eye worm) MH2 domain-containing protein 0.0635 0.2651 0.8645
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0253 0.1008 0.1671
Entamoeba histolytica disulphide oxidoreductase, putative 0.0067 0.0206 0.5
Trypanosoma brucei trypanothione reductase 0.0732 0.3066 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0253 0.1008 0.2945
Brugia malayi MH2 domain containing protein 0.0043 0.0103 0.0336
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0212 0.002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0212 0.002
Brugia malayi MH1 domain containing protein 0.0043 0.0103 0.0336
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0067 0.0206 0.0673
Trypanosoma cruzi trypanothione reductase, putative 0.0732 0.3066 1
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0067 0.0206 0.5
Echinococcus granulosus intermediate filament protein 0.0057 0.0161 0.0267
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0253 0.1008 1
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0067 0.0206 0.0673
Toxoplasma gondii thioredoxin reductase 0.0732 0.3066 1
Schistosoma mansoni sulfide quinone reductase 0.0067 0.0206 0.0206
Echinococcus granulosus smad 0.0043 0.0103 0.0171
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0205 0.067
Schistosoma mansoni Smad4 0.0043 0.0103 0.0103
Brugia malayi Intermediate filament tail domain containing protein 0.0057 0.0161 0.0525
Treponema pallidum NADH oxidase 0.0253 0.1008 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0253 0.1008 0.2803
Entamoeba histolytica thioredoxin reductase, putative 0.0067 0.0206 0.5
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0205 0.034
Plasmodium falciparum glutathione reductase 0.0253 0.1008 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0253 0.1008 1
Loa Loa (eye worm) thioredoxin reductase 0.0732 0.3066 1
Plasmodium falciparum thioredoxin reductase 0.0253 0.1008 0.2803
Schistosoma mansoni smad1 5 8 and 0.0043 0.0103 0.0103
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.1669 0.7101 0.8958
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0035 0.0057
Schistosoma mansoni hypothetical protein 0.0067 0.0206 0.0206
Schistosoma mansoni glutamate synthase 0.0067 0.0206 0.0206
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0253 0.1008 0.2803
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0186 0.0718 0.2343
Echinococcus multilocularis lamin 0.0057 0.0161 0.0267
Loa Loa (eye worm) glutathione reductase 0.0732 0.3066 1
Schistosoma mansoni smad 0.0043 0.0103 0.0103
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0212 0.002
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0067 0.0206 0.0342
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0067 0.0206 0.0197
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0212 0.002
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0205 0.0205
Onchocerca volvulus 0.0057 0.0161 0.1984
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0212 0.002
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0253 0.1008 0.2945
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0253 0.1008 0.2803
Loa Loa (eye worm) Smad1 0.0043 0.0103 0.0336
Schistosoma mansoni lamin 0.0057 0.0161 0.0161
Loa Loa (eye worm) nuclear factor I 0.0024 0.002 0.0064
Echinococcus granulosus TGF beta signal transducer SmadC 0.0043 0.0103 0.0171
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0067 0.0206 0.0197
Loa Loa (eye worm) transcription factor SMAD2 0.0635 0.2651 0.8645
Schistosoma mansoni intermediate filament proteins 0.0057 0.0161 0.0161
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0067 0.0206 0.0342
Loa Loa (eye worm) hypothetical protein 0.0056 0.0157 0.0511
Mycobacterium tuberculosis Probable dehydrogenase 0.1669 0.7101 0.8958
Echinococcus multilocularis smad 0.0043 0.0103 0.0171
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0253 0.1008 0.2803
Loa Loa (eye worm) hypothetical protein 0.0067 0.0206 0.0673
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0067 0.0206 0.0342
Echinococcus multilocularis tumor protein p63 0.142 0.6032 1
Leishmania major cathepsin L-like protease 0.0069 0.0212 0.002
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0253 0.1008 1
Schistosoma mansoni glutamate synthase 0.0067 0.0206 0.0206
Loa Loa (eye worm) MH1 domain-containing protein 0.0043 0.0103 0.0336
Brugia malayi intermediate filament protein 0.0057 0.0161 0.0525
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0253 0.1008 0.2803
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0212 0.0217
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0253 0.1008 0.1008
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0212 0.0217
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.1669 0.7101 0.8958
Echinococcus multilocularis thioredoxin glutathione reductase 0.0741 0.3105 0.5148
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0067 0.0206 0.0197
Brugia malayi Thioredoxin reductase 0.0732 0.3066 1
Trypanosoma cruzi hypothetical protein, conserved 0.0067 0.0206 0.0197
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0035 0.0057
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0253 0.1008 0.2803
Schistosoma mansoni disulfide oxidoreductase 0.0067 0.0206 0.0206
Mycobacterium tuberculosis Probable oxidoreductase 0.1855 0.7903 1
Echinococcus multilocularis Smad4 0.0043 0.0103 0.0171
Trypanosoma cruzi NADH dehydrogenase, putative 0.0067 0.0206 0.0197
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0067 0.0206 0.0342
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.1855 0.7903 1
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0067 0.0206 0.0342
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0253 0.1008 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.003 0.0098
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0212 0.002
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0067 0.0206 0.0342
Brugia malayi glutamate synthase 0.0067 0.0206 0.0673
Leishmania major cathepsin L-like protease 0.0069 0.0212 0.002
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0067 0.0206 0.0342
Brugia malayi glutathione reductase 0.0732 0.3066 1
Brugia malayi MH1 domain containing protein 0.0043 0.0103 0.0336
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0253 0.1008 0.2803
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.1855 0.7903 1
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0048 0.0155
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0212 0.002
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0067 0.0206 0.5
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0067 0.0206 0.0342
Echinococcus multilocularis mothers against decapentaplegic 5 0.0043 0.0103 0.0171
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0057 0.0161 0.0525
Plasmodium vivax thioredoxin reductase, putative 0.0732 0.3066 1
Brugia malayi TAR-binding protein 0.0067 0.0205 0.067
Echinococcus granulosus glutamate synthase 0.0067 0.0206 0.0342
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0205 0.0205
Brugia malayi MH1 domain containing protein 0.0024 0.002 0.0064
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0205 0.0205
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0253 0.1008 0.1671
Echinococcus multilocularis musashi 0.0057 0.0161 0.0267
Plasmodium falciparum thioredoxin reductase 0.0732 0.3066 1
Brugia malayi MH2 domain containing protein 0.0635 0.2651 0.8645
Echinococcus granulosus tar DNA binding protein 0.0067 0.0205 0.034
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0253 0.1008 1
Echinococcus granulosus Smad4 0.0043 0.0103 0.0171
Brugia malayi MH1 domain containing protein 0.0024 0.002 0.0064
Echinococcus granulosus tumor protein p63 0.142 0.6032 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.002 0.0064
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0067 0.0206 0.5

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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