Detailed information for compound 620880

Basic information

Technical information
  • TDR Targets ID: 620880
  • Name: [4-(8-methoxy-2-oxochromen-3-yl)-2-oxochromen -7-yl] acetate
  • MW: 378.332 | Formula: C21H14O7
  • H donors: 0 H acceptors: 3 LogP: 2.81 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2)OC(=O)C
  • InChi: 1S/C21H14O7/c1-11(22)26-13-6-7-14-15(10-19(23)27-18(14)9-13)16-8-12-4-3-5-17(25-2)20(12)28-21(16)24/h3-10H,1-2H3
  • InChiKey: PWGKCLJBAPNEQP-UHFFFAOYSA-N  

Network

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Synonyms

  • [4-(8-methoxy-2-oxo-chromen-3-yl)-2-oxo-chromen-7-yl] acetate
  • acetic acid [4-(8-methoxy-2-oxo-3-chromenyl)-2-oxo-7-chromenyl] ester
  • acetic acid [2-keto-4-(2-keto-8-methoxy-chromen-3-yl)chromen-7-yl] ester
  • [4-(8-methoxy-2-oxo-chromen-3-yl)-2-oxo-chromen-7-yl] ethanoate
  • ZINC02112133
  • STOCK1N-49284

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
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0057 0.0819 1
Brugia malayi glutathione reductase 0.0163 0.2923 0.6507
Schistosoma mansoni zinc finger protein 0.0016 0.0018 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0249 0.3044
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0415 0.7866 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.039 0.4756
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.039 0.4756
Schistosoma mansoni intermediate filament proteins 0.0027 0.0232 0.0232
Brugia malayi intermediate filament protein 0.0027 0.0232 0.0517
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0302 0.3691
Schistosoma mansoni smad1 5 8 and 0.0017 0.003 0.003
Treponema pallidum NADH oxidase 0.0057 0.0819 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0037 0.0438 0.1499
Trypanosoma brucei ISWI complex protein 0.0016 0.0018 0.0061
Plasmodium vivax glutathione reductase, putative 0.0163 0.2923 1
Echinococcus granulosus Smad4 0.0017 0.003 0.0102
Trichomonas vaginalis glutathione reductase, putative 0.0057 0.0819 1
Echinococcus granulosus zinc finger protein 0.002 0.0106 0.0357
Loa Loa (eye worm) hypothetical protein 0.0074 0.1155 0.2571
Loa Loa (eye worm) hypothetical protein 0.0027 0.0232 0.0517
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0437 0.5337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0255 0.311
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0819 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0057 0.0819 0.2803
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0057 0.0819 0.2803
Loa Loa (eye worm) phosphatidylinositol 3 0.0016 0.0013 0.0029
Schistosoma mansoni lamin 0.0027 0.0232 0.0232
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0232 0.0517
Echinococcus granulosus intermediate filament protein 0.0027 0.0232 0.0786
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0202 0.2462
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.003 0.0102
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.039 0.4756
Leishmania major hypothetical protein, conserved 0.0016 0.0018 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.039 0.4756
Brugia malayi MH2 domain containing protein 0.0017 0.003 0.0067
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0929 0.3145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.039 0.4756
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.003 0.0102
Trypanosoma brucei trypanothione reductase 0.0163 0.2923 1
Schistosoma mansoni smad1 5 8 and 0.0017 0.003 0.003
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0441 0.1494
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0047 0.0626 0.212
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0057 0.0819 0.2803
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0415 0.7866 1
Onchocerca volvulus 0.0027 0.0232 1
Brugia malayi MH1 domain containing protein 0.0017 0.003 0.0067
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0057 0.0819 0.2803
Schistosoma mansoni smad 0.0017 0.003 0.003
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0057 0.0819 0.2803
Echinococcus multilocularis zinc finger protein 0.002 0.0106 0.0357
Brugia malayi MH2 domain containing protein 0.0017 0.003 0.0067
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0057 0.0819 0.2803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0437 0.5337
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0042 0.0523 0.1165
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.003 0.003
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0054 0.0054
Echinococcus granulosus thioredoxin glutathione reductase 0.0165 0.2953 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.003 0.0102
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0054 0.0054
Plasmodium falciparum thioredoxin reductase 0.0057 0.0819 0.2803
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.003 0.0067
Echinococcus multilocularis musashi 0.0027 0.0232 0.0786
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0202 0.2462
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0255 0.311
Echinococcus multilocularis lamin 0.0027 0.0232 0.0786
Loa Loa (eye worm) glutathione reductase 0.0163 0.2923 0.6507
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0047 0.0626 0.212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0626 0.7639
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0057 0.0819 0.2803
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0232 0.0517
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0057 0.0819 0.2803
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0047 0.0626 0.0626
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0013 0.016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.039 0.4756
Brugia malayi MH2 domain containing protein 0.0243 0.4492 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0016 0.0013 0.0045
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0054 0.0054
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0057 0.0819 0.2803
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0232 0.0517
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0929 0.3145
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0373 0.7047 0.8958
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0057 0.0819 1
Loa Loa (eye worm) thioredoxin reductase 0.0163 0.2923 0.6507
Schistosoma mansoni bromodomain containing protein 0.0066 0.1002 0.1002
Echinococcus multilocularis smad 0.0017 0.003 0.0102
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0016 0.0013 0.0045
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0054 0.0182
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0166 0.0564
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0054 0.0054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.039 0.4756
Loa Loa (eye worm) hypothetical protein 0.0044 0.0579 0.1289
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0491 0.5994
Trypanosoma cruzi ISWI complex protein 0.0016 0.0018 0.0061
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0057 0.0819 0.2803
Toxoplasma gondii NADPH-glutathione reductase 0.0057 0.0819 0.2803
Trypanosoma cruzi ISWI complex protein 0.0016 0.0018 0.0061
Brugia malayi PHD-finger family protein 0.0026 0.0215 0.0479
Mycobacterium tuberculosis Probable dehydrogenase 0.0373 0.7047 0.8958
Giardia lamblia GTOR 0.0047 0.0626 0.7639
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0057 0.0819 1
Schistosoma mansoni Smad4 0.0017 0.003 0.003
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0166 0.0564
Loa Loa (eye worm) MH2 domain-containing protein 0.0243 0.4492 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0373 0.7047 0.8958
Plasmodium falciparum thioredoxin reductase 0.0163 0.2923 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0047 0.0626 0.2141
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0016 0.0013 0.0045
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0441 0.1494
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0066 0.0148
Plasmodium falciparum glutathione reductase 0.0163 0.2923 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0016 0.0013 0.0045
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0087 0.0297
Plasmodium vivax thioredoxin reductase, putative 0.0163 0.2923 1
Brugia malayi Smad1 0.0017 0.003 0.0067
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0057 0.0819 0.2803
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0057 0.0819 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0016 0.0013 0.0045
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0047 0.0626 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0437 0.5337
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0166 0.0166
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0057 0.0819 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.054 0.1201
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0626 0.7639
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0057 0.0819 0.2775
Loa Loa (eye worm) hypothetical protein 0.0026 0.0223 0.0495
Onchocerca volvulus 0.0027 0.0232 1
Echinococcus multilocularis Smad4 0.0017 0.003 0.0102
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0047 0.0626 0.2141
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0057 0.0819 0.2803
Loa Loa (eye worm) hypothetical protein 0.0018 0.0054 0.012
Toxoplasma gondii target of rapamycin (TOR), putative 0.0035 0.039 0.1333
Trypanosoma cruzi target of rapamycin kinase 3 0.0037 0.0438 0.1499
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0047 0.0626 0.2141
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0201 0.2453
Echinococcus granulosus lamin dm0 0.0027 0.0232 0.0786
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0437 0.5337
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0016 0.0013 0.0044
Echinococcus granulosus smad 0.0017 0.003 0.0102
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0255 0.311
Schistosoma mansoni smad1 5 8 and 0.0017 0.003 0.003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0201 0.2453
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.003 0.0102
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0057 0.0819 0.2803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0013 0.016
Brugia malayi Bromodomain containing protein 0.0078 0.1243 0.2766
Schistosoma mansoni hypothetical protein 0.0021 0.0127 0.0127
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0022 0.014 0.0479
Echinococcus multilocularis lamin dm0 0.0027 0.0232 0.0786
Mycobacterium tuberculosis Probable reductase 0.0373 0.7047 0.8958
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0042 0.0523 0.1165
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0047 0.0626 0.2141
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0057 0.0819 0.2775
Mycobacterium tuberculosis Probable oxidoreductase 0.0415 0.7866 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0373 0.7047 0.8958
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0057 0.0819 0.1042
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0057 0.0819 0.0819
Brugia malayi Bromodomain containing protein 0.004 0.049 0.109
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0057 0.0819 0.2803
Trichomonas vaginalis mercuric reductase, putative 0.0057 0.0819 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0047 0.0626 0.2141
Loa Loa (eye worm) phosphatidylinositol 3 0.0047 0.0626 0.1393
Loa Loa (eye worm) hypothetical protein 0.004 0.0491 0.1093
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0373 0.7047 0.8958
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0057 0.0819 1
Brugia malayi MH1 domain containing protein 0.0017 0.003 0.0067
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0016 0.0013 0.0029
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0057 0.0819 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0057 0.0819 0.2803
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0057 0.0819 0.1824
Schistosoma mansoni zinc finger protein 0.002 0.0106 0.0106
Echinococcus granulosus lamin 0.0027 0.0232 0.0786
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0016 0.0013 0.0045
Loa Loa (eye worm) transcription factor SMAD2 0.0243 0.4492 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0037 0.0438 0.1499
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0047 0.0626 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0249 0.3044
Trypanosoma cruzi trypanothione reductase, putative 0.0163 0.2923 1
Schistosoma mansoni hypothetical protein 0.0016 0.0018 0.0018
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0057 0.0819 0.2803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0322 0.3934
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0016 0.0013 0.0044
Plasmodium falciparum glutathione reductase 0.0057 0.0819 0.2803
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0127 0.0283
Toxoplasma gondii thioredoxin reductase 0.0163 0.2923 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0163 0.2923 0.3716
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0054 0.0182
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0626 0.7639
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0047 0.0626 0.1393
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0013 0.016
Leishmania major trypanothione reductase 0.0163 0.2923 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0054 0.0182
Schistosoma mansoni lamin 0.0027 0.0232 0.0232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0437 0.5337
Echinococcus multilocularis thioredoxin glutathione reductase 0.0165 0.2953 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.003 0.0067
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0016 0.0013 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0202 0.2462
Loa Loa (eye worm) Smad1 0.0017 0.003 0.0067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0201 0.2453
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0057 0.0819 0.2803
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0057 0.0819 0.2803
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0054 0.0182
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0202 0.2462
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0047 0.0626 0.2141
Giardia lamblia NADH oxidase lateral transfer candidate 0.0057 0.0819 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0013 0.016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0013 0.016
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0415 0.7866 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0057 0.0819 0.2803
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0373 0.7047 0.8958
Brugia malayi Thioredoxin reductase 0.0163 0.2923 0.6507
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0057 0.0819 0.2803

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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