Detailed information for compound 711612

Basic information

Technical information
  • TDR Targets ID: 711612
  • Name: methyl 2-[7-[(2,6-dichlorophenyl)methoxy]-4,8 -dimethyl-2-oxochromen-3-yl]acetate
  • MW: 421.271 | Formula: C21H18Cl2O5
  • H donors: 0 H acceptors: 2 LogP: 4.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C)OCc1c(Cl)cccc1Cl
  • InChi: 1S/C21H18Cl2O5/c1-11-13-7-8-18(27-10-15-16(22)5-4-6-17(15)23)12(2)20(13)28-21(25)14(11)9-19(24)26-3/h4-8H,9-10H2,1-3H3
  • InChiKey: YEOGALSAYGOEPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-[7-[(2,6-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-chromen-3-yl]acetate
  • 2-[7-[(2,6-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-3-chromenyl]acetic acid methyl ester
  • 2-[7-(2,6-dichlorobenzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]acetic acid methyl ester
  • methyl 2-[7-[(2,6-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-chromen-3-yl]ethanoate

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
Schistosoma mansoni protein kinase 0.1034 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0084 0.5
Schistosoma mansoni protein kinase 0.1034 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0717 0.6901 0.6883
Leishmania major endonuclease G, putative 0.0021 0.0091 1
Schistosoma mansoni ap endonuclease 0.002 0.0084 0.0026
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0591 0.5663 0.5663
Schistosoma mansoni tyrosine kinase 0.0232 0.2156 0.211
Trypanosoma cruzi endonuclease G, putative 0.0021 0.0091 0.0027
Loa Loa (eye worm) hypothetical protein 0.0034 0.0225 0.0168
Echinococcus granulosus tyrosine protein kinase shark 0.0232 0.2156 0.2156
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0225 0.0168
Echinococcus multilocularis ectonucleotide 0.0029 0.0172 0.0115
Loa Loa (eye worm) hypothetical protein 0.1033 0.9985 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0225 0.0168
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0084 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0034 0.0225 0.0168
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0084 0.5
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0021 0.0091 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0172 0.0115
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0225 0.0225
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0225 0.0168
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1034 1 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0034 0.0225 0.0168
Schistosoma mansoni hypothetical protein 0.0074 0.0613 0.0558
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0084 0.0026
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0017 0.0058 0.0058
Brugia malayi endonuclease G, mitochondrial precursor 0.0021 0.0091 0.0033
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0225 0.0225
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0313 0.2949 0.2912
Brugia malayi STAT protein, DNA binding domain containing protein 0.0162 0.1473 0.1424
Schistosoma mansoni microtubule-associated protein tau 0.0717 0.6901 0.6883
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0225 0.0225
Schistosoma mansoni tyrosine kinase 0.0224 0.2075 0.2029
Echinococcus multilocularis Endonuclease G 0.0021 0.0091 0.0033
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0021 0.0091 0.0027
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0225 0.0168
Echinococcus granulosus Endonuclease G 0.0021 0.0091 0.0091
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0084 0.5
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0021 0.0091 0.0027
Echinococcus granulosus microtubule associated protein 2 0.0717 0.6901 0.6901
Loa Loa (eye worm) hypothetical protein 0.0311 0.2934 0.2897
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0084 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0034 0.0225 0.0168
Trypanosoma brucei endonuclease G, putative 0.0021 0.0091 1
Trypanosoma brucei endonuclease G, putative 0.0021 0.0091 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0084 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0084 0.0026
Loa Loa (eye worm) STAT protein 0.0162 0.1473 0.1426
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0029 0.0172 0.0172
Echinococcus granulosus ectonucleotide 0.0029 0.0172 0.0172
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0313 0.2949 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0084 0.5
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0074 0.0613 0.0559
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1034 1 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0225 0.0168
Trypanosoma brucei endonuclease G, putative 0.0021 0.0091 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0225 0.0168
Onchocerca volvulus 0.0074 0.0613 1
Brugia malayi Thrombospondin type 1 domain containing protein 0.0074 0.0613 0.0558
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0034 0.0225 0.0168
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0017 0.0058 0.0058
Trypanosoma cruzi endonuclease G, putative 0.0021 0.0091 0.0027
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0084 0.5
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0034 0.0225 0.0168
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0225 0.0225
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0029 0.0172 0.0115
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0084 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0084 0.0026
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0021 0.0091 1
Schistosoma mansoni ap endonuclease 0.002 0.0084 0.0026
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0034 0.0225 0.0168
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0225 0.0225
Echinococcus multilocularis tyrosine protein kinase shark 0.0232 0.2156 0.211
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0313 0.2949 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0225 0.0168
Schistosoma mansoni endonuclease related 0.0021 0.0091 0.0033

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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