Detailed information for compound 709470

Basic information

Technical information
  • TDR Targets ID: 709470
  • Name: 4-[[3-(2-carboxyethyl)-4-methyl-2-oxochromen- 7-yl]oxymethyl]benzoic acid
  • MW: 382.363 | Formula: C21H18O7
  • H donors: 2 H acceptors: 5 LogP: 2.58 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OCc1ccc(cc1)C(=O)O
  • InChi: 1S/C21H18O7/c1-12-16-7-6-15(27-11-13-2-4-14(5-3-13)20(24)25)10-18(16)28-21(26)17(12)8-9-19(22)23/h2-7,10H,8-9,11H2,1H3,(H,22,23)(H,24,25)
  • InChiKey: IYTOIFHTZSYTAF-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[[3-(2-carboxyethyl)-4-methyl-2-oxo-chromen-7-yl]oxymethyl]benzoic acid
  • 4-[[3-(2-carboxyethyl)-4-methyl-2-oxo-7-chromenyl]oxymethyl]benzoic acid
  • 4-[[3-(2-carboxyethyl)-2-keto-4-methyl-chromen-7-yl]oxymethyl]benzoic acid
  • STOCK1N-38961

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 apurinic/apyrimidinic endonuclease, putative 0.0018 0.0463 0.0207
Schistosoma mansoni glutaminase 0.0267 0.9035 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0463 0.0558
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.4643 0.4499
Schistosoma mansoni ap endonuclease 0.0018 0.0463 0.0338
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0463 0.0207
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0463 1
Toxoplasma gondii exonuclease III APE 0.0018 0.0463 0.3151
Echinococcus granulosus geminin 0.0165 0.5536 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 1 1
Schistosoma mansoni hypothetical protein 0.0165 0.5536 0.6056
Loa Loa (eye worm) hypothetical protein 0.0118 0.3899 0.421
Loa Loa (eye worm) RecQ helicase 0.0023 0.0638 0.0535
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.126 0.1025
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 1 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.126 0.1025
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.054 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0463 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0463 0.0338
Loa Loa (eye worm) glutaminase 2 0.0267 0.9035 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0463 0.7958
Echinococcus granulosus bloom syndrome protein 0.0023 0.0638 0.0884
Mycobacterium ulcerans glutaminase 0.0267 0.9035 1
Mycobacterium ulcerans hypothetical protein 0.0155 0.5187 0.5511
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0463 0.0558
Brugia malayi glutaminase DH11.1 0.0267 0.9035 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1573 0.1346
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0463 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.4643 0.4499
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.126 0.1025
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0463 0.023
Toxoplasma gondii hypothetical protein 0.0048 0.147 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.037 0.2517
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0463 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.5187 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.4643 0.4499
Schistosoma mansoni ap endonuclease 0.0018 0.0463 0.0338
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0164 0.1113
Echinococcus multilocularis geminin 0.0165 0.5536 1
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0638 0.0535
Loa Loa (eye worm) glutaminase 0.0267 0.9035 1
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0262 0.5651
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 1 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.126 0.1025
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0463 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0164 0.1113
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0638 0.0429
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0468 0.0343
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0463 0.023
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0463 0.0338
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0463 0.0207
Schistosoma mansoni hypothetical protein 0.0165 0.5536 0.6056
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0638 0.0884
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0463 0.0207
Trichomonas vaginalis glutaminase, putative 0.0267 0.9035 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0638 0.0429

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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