Detailed information for compound 621032

Basic information

Technical information
  • TDR Targets ID: 621032
  • Name: ethyl 2-[2-oxo-4-(2-oxochromen-3-yl)chromen-7 -yl]oxyacetate
  • MW: 392.358 | Formula: C22H16O7
  • H donors: 0 H acceptors: 3 LogP: 3.34 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)COc1ccc2c(c1)oc(=O)cc2c1cc2ccccc2oc1=O
  • InChi: 1S/C22H16O7/c1-2-26-21(24)12-27-14-7-8-15-16(11-20(23)28-19(15)10-14)17-9-13-5-3-4-6-18(13)29-22(17)25/h3-11H,2,12H2,1H3
  • InChiKey: AKDHJNNJVCZYDS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[2-oxo-4-(2-oxo-3-chromenyl)-7-chromenyl]oxy]acetic acid ethyl ester
  • 2-[2-keto-4-(2-ketochromen-3-yl)chromen-7-yl]oxyacetic acid ethyl ester
  • ethyl 2-[2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl]oxyethanoate
  • ZINC04340006

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 brucei DNA polymerase kappa, putative 0.0019 0.0243 0.0834
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1944 0.1879
Schistosoma mansoni intermediate filament proteins 0.0026 0.0539 0.0463
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1944 0.1879
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0243 0.1415
Loa Loa (eye worm) hypothetical protein 0.0026 0.052 0.1265
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0636 0.2059
Toxoplasma gondii thioredoxin reductase 0.0084 0.2785 1
Echinococcus granulosus GPCR family 2 0.0015 0.0107 0.038
Loa Loa (eye worm) hypothetical protein 0.0026 0.0539 0.1312
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0636 0.2059
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0212 0.7832 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0015 0.0079 0.0193
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1944 0.1879
Plasmodium vivax glutathione reductase, putative 0.0084 0.2785 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0534 0.3945
Schistosoma mansoni lamin 0.0026 0.0539 0.0463
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.1233 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0029 0.0636 0.2059
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0243 0.0165
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0029 0.0636 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0435 0.3078
Trichomonas vaginalis mercuric reductase, putative 0.0029 0.0636 0.4829
Brugia malayi RNA binding protein 0.0062 0.1944 0.466
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0243 0.1415
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.0879 0.2957
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0636 0.5
Schistosoma mansoni DNA polymerase eta 0.0019 0.0243 0.0165
Plasmodium falciparum thioredoxin reductase 0.0084 0.2785 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0636 0.2059
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0243 0.0462
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0539 0.1312
Echinococcus granulosus intermediate filament protein 0.0026 0.0539 0.1922
Echinococcus granulosus lamin 0.0026 0.0539 0.1922
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.1233 0.4264
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0788 0.0707
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0055 0.0135
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0878 0.6922
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0029 0.0636 0.1434
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0029 0.0636 0.2254
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0243 0.0834
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0021 0.0334 0.0688
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0015 0.0079 0.0283
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.1233 0.4405
Loa Loa (eye worm) hypothetical protein 0.0033 0.0813 0.198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0788 0.6145
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.1233 0.2906
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0534 0.3945
Onchocerca volvulus 0.0026 0.0539 0.5
Echinococcus multilocularis musashi 0.0026 0.0539 0.1922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0524 0.3855
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0433 0.3066
Brugia malayi TAR-binding protein 0.0062 0.1944 0.466
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0636 0.2059
Schistosoma mansoni hypothetical protein 0.0015 0.0107 0.0027
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0191 0.6996 0.8898
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1944 0.1879
Plasmodium vivax thioredoxin reductase, putative 0.0084 0.2785 1
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.4108 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1944 0.4732
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0539 0.1312
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1423 0.3374
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0107 0.0126
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0243 0.0866
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0788 0.6145
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0029 0.0636 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0029 0.0636 0.2254
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.1233 0.4264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0878 0.6922
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0212 0.7832 1
Schistosoma mansoni lamin 0.0026 0.0539 0.0463
Echinococcus granulosus dna polymerase eta 0.0019 0.0243 0.0866
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0243 0.0604
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0243 0.0604
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0878 0.6922
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0243 0.0834
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1944 0.1879
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0018 0.0218 0.0746
Plasmodium falciparum glutathione reductase 0.0084 0.2785 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0243 0.0834
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0243 0.0834
Echinococcus multilocularis dna polymerase eta 0.0019 0.0243 0.0866
Trypanosoma brucei unspecified product 0.0019 0.0243 0.0834
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0015 0.0079 0.0283
Echinococcus granulosus thioredoxin glutathione reductase 0.0084 0.2804 1
Leishmania major DNA polymerase kappa, putative 0.0019 0.0243 0.0604
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1233 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0107 0.0126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1233 1
Treponema pallidum NADH oxidase 0.0029 0.0636 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0788 0.6145
Mycobacterium tuberculosis Probable dehydrogenase 0.0191 0.6996 0.8898
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0015 0.0079 0.0245
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0433 0.3066
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0107 0.038
Trypanosoma cruzi trypanothione reductase, putative 0.0084 0.2785 1
Loa Loa (eye worm) glutathione reductase 0.0084 0.2785 0.6778
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0243 0.0604
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0084 0.2785 0.3349
Brugia malayi MH2 domain containing protein 0.0117 0.4108 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0029 0.0636 0.2059
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0243 0.0834
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0015 0.0079 0.0245
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0788 0.6145
Echinococcus multilocularis GPCR, family 2 0.0015 0.0107 0.038
Leishmania major DNA polymerase eta, putative 0.0019 0.0243 0.0604
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0243 0.0834
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0107 0.038
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1944 0.4732
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0636 0.2059
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0636 0.2059
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0636 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0243 0.0834
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0029 0.0636 0.227
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0243 0.0834
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0029 0.0636 0.0561
Loa Loa (eye worm) hypothetical protein 0.0019 0.0243 0.0591
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0979 0.78
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0029 0.0636 0.5
Echinococcus multilocularis lamin 0.0026 0.0539 0.1922
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0243 0.0834
Schistosoma mansoni hypothetical protein 0.0033 0.0813 0.074
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0636 0.2254
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0435 0.3078
Brugia malayi intermediate filament protein 0.0026 0.0539 0.1193
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0636 0.2059
Trichomonas vaginalis glutathione reductase, putative 0.0029 0.0636 0.4829
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0243 0.0834
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.1233 0.4264
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0243 0.0165
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0107 0.0259
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.1233 0.1163
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0788 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0524 0.3855
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0435 0.3078
Echinococcus granulosus tar DNA binding protein 0.0062 0.1944 0.6932
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1944 0.466
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0636 0.2059
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0636 0.2254
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0191 0.6996 0.8898
Loa Loa (eye worm) hypothetical protein 0.0049 0.1423 0.3463
Mycobacterium tuberculosis Probable oxidoreductase 0.0212 0.7832 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0878 0.6922
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1423 0.3374
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.0636 0.227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0788 0.6145
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0636 0.2059
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1423 0.3463
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0879 0.313
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0624 0.4722
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0243 0.0462
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0435 0.3078
Schistosoma mansoni hypothetical protein 0.0015 0.0107 0.0027
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0243 0.0604
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0534 0.3945
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0243 0.0834
Loa Loa (eye worm) RNA binding protein 0.0062 0.1944 0.4732
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0636 0.2059
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0191 0.6996 0.8898
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.1233 0.4397
Loa Loa (eye worm) hypothetical protein 0.0015 0.0107 0.0259
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0243 0.0604
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.1233 0.3001
Schistosoma mansoni hypothetical protein 0.0015 0.0107 0.0027
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.1233 1
Onchocerca volvulus 0.0026 0.0539 0.5
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0243 0.0866
Loa Loa (eye worm) thioredoxin reductase 0.0084 0.2785 0.6778
Brugia malayi Thioredoxin reductase 0.0084 0.2785 0.6734
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.0879 0.2957
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1944 0.6932
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.1233 0.4397
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0788 0.6145
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0191 0.6996 0.8898
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0243 0.0591
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0029 0.0636 1
Trypanosoma brucei trypanothione reductase 0.0084 0.2785 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0662 0.5047
Echinococcus multilocularis lamin dm0 0.0026 0.0539 0.1922
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0243 0.0604
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0015 0.0079 0.0059
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.4108 1
Echinococcus granulosus lamin dm0 0.0026 0.0539 0.1922
Schistosoma mansoni hypothetical protein 0.0015 0.0107 0.0027
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0212 0.7832 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.1233 0.4405
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0243 0.0834
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0029 0.0636 0.0519
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.1233 0.4264
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0107 0.038
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0318 0.1106
Giardia lamblia GTOR 0.0044 0.1233 1
Leishmania major trypanothione reductase 0.0084 0.2785 1
Mycobacterium tuberculosis Probable reductase 0.0191 0.6996 0.8898
Echinococcus multilocularis thioredoxin glutathione reductase 0.0084 0.2804 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0243 0.0834
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0813 0.1871
Giardia lamblia NADH oxidase lateral transfer candidate 0.0029 0.0636 0.3976
Echinococcus granulosus dna polymerase kappa 0.0019 0.0243 0.0866
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0433 0.3066
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0107 0.038
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1233 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0878 0.6922
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0021 0.0334 0.0688
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0539 0.1193
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0243 0.0866
Brugia malayi glutathione reductase 0.0084 0.2785 0.6734
Trypanosoma cruzi trypanothione reductase, putative 0.0029 0.0636 0.2059

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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