Detailed information for compound 1841574

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.385 | Formula: C23H18O7
  • H donors: 2 H acceptors: 4 LogP: 3.68 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cc(O)c(c(c1)O)OCc1cc(=O)oc2c1ccc1c2cccc1
  • InChi: 1S/C23H18O7/c1-2-28-23(27)14-9-18(24)22(19(25)10-14)29-12-15-11-20(26)30-21-16-6-4-3-5-13(16)7-8-17(15)21/h3-11,24-25H,2,12H2,1H3
  • InChiKey: IJJAZWFYJKOMLS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus granulosus NEDD8 activating enzyme E1 catalytic subunit 0.1305 0.2944 0.2944
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0134 0.0041 0.0041
Schistosoma mansoni ubiquitin-activating enzyme E1C 0.1305 0.2944 0.2989
Echinococcus granulosus c src tyrosine kinase 0.0134 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.1575 0.3613 0.3613
Plasmodium falciparum NEDD8-activating enzyme E1 catalytic subunit, putative 0.0404 0.071 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0134 0.0041 0.0041
Echinococcus multilocularis c src tyrosine kinase 0.0134 0.0041 0.0041
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0134 0.0041 0.0041
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0134 0.0041 0.0041
Echinococcus granulosus tyrosine protein kinase Src64B 0.0134 0.0041 0.0041
Echinococcus multilocularis tyrosine protein kinase Abl 0.1692 0.3904 0.3904
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0404 0.071 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0134 0.0041 0.0041
Echinococcus granulosus tyrosine protein kinase Fyn 0.0134 0.0041 0.0041
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0134 0.0041 0.0042
Plasmodium vivax ubiquitin-activating enzyme E1C, putative 0.0404 0.071 0.5
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0134 0.0041 0.0041
Loa Loa (eye worm) SRC-1 0.0134 0.0041 0.0041
Echinococcus granulosus tyrosine protein kinase Lyn 0.0134 0.0041 0.0041
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0134 0.0041 0.0041
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.1305 0.2944 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0134 0.0041 0.0041
Brugia malayi Ectopic membrane ruffles in embryo protein 1 0.1305 0.2944 0.495
Schistosoma mansoni tyrosine kinase 0.0134 0.0041 0.0042
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0134 0.0041 0.0041
Echinococcus multilocularis NEDD8 activating enzyme E1 catalytic subunit 0.1305 0.2944 0.2944
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0134 0.0041 0.0041
Loa Loa (eye worm) ectopic membrane ruffles in embryo protein 1 0.1305 0.2944 0.2944
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0134 0.0041 0.0041
Brugia malayi SRC-1 0.0134 0.0041 0.007
Leishmania major ubiquitin activating enzyme, putative 0.0404 0.071 0.5
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0134 0.0041 0.0041
Schistosoma mansoni tyrosine kinase 0.0134 0.0041 0.0042
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0134 0.0041 0.0041
Echinococcus granulosus tyrosine protein kinase Src42A 0.0134 0.0041 0.0041
Schistosoma mansoni tyrosine kinase 0.4091 0.9853 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.4151 1 1
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.0941 0.2042 1
Brugia malayi Tyrosine-protein kinase abl-1 0.2517 0.5948 1
Schistosoma mansoni tyrosine kinase 0.0134 0.0041 0.0042
Brugia malayi Tyrosine-protein kinase abl-1 0.1692 0.3904 0.6563
Echinococcus granulosus tyrosine protein kinase Fyn 0.0134 0.0041 0.0041
Schistosoma mansoni tyrosine kinase 0.0134 0.0041 0.0042
Loa Loa (eye worm) TK/ABL protein kinase 0.4151 1 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0134 0.0041 0.0041
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0404 0.071 0.5
Trypanosoma brucei NEDD8 activating enzyme subunit, putative 0.0404 0.071 0.5
Toxoplasma gondii NEDD8-activating enzyme E1 catalytic subunit 0.1305 0.2944 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 100 ug ml-1 Antifungal activity against Candida albicans ATCC 2091 after 24 hrs by broth microdilution method ChEMBL. 24239622
MIC (functional) = 100 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs by broth microdilution method ChEMBL. 24239622

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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