Detailed information for compound 1112235

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 491.532 | Formula: C28H29NO7
  • H donors: 0 H acceptors: 4 LogP: 3.99 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cc(=O)c2c(o1)c(COC(=O)C13CCC(C3(C)C)(C(=O)O1)C)c(cc2)OCc1cccnc1
  • InChi: 1S/C28H29NO7/c1-5-18-13-21(30)19-8-9-22(33-15-17-7-6-12-29-14-17)20(23(19)35-18)16-34-25(32)28-11-10-27(4,24(31)36-28)26(28,2)3/h6-9,12-14H,5,10-11,15-16H2,1-4H3
  • InChiKey: NUCYXUQIJYRQHB-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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.011 0.1073 0.1073
Echinococcus multilocularis hormone sensitive lipase 0.0411 0.4661 0.4661
Echinococcus multilocularis geminin 0.0179 0.1902 0.1902
Brugia malayi amidase 0.011 0.1073 1
Schistosoma mansoni hypothetical protein 0.0179 0.1902 0.408
Trichomonas vaginalis ap endonuclease, putative 0.002 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.002 0 0.5
Schistosoma mansoni amidase 0.011 0.1073 0.2301
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0411 0.4661 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.011 0.1073 0.2301
Schistosoma mansoni fatty-acid amide hydrolase 0.011 0.1073 0.2301
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0 0.5
Toxoplasma gondii exonuclease III APE 0.002 0 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0 0.5
Echinococcus granulosus geminin 0.0179 0.1902 0.408
Loa Loa (eye worm) hypothetical protein 0.011 0.1073 0.2301
Echinococcus multilocularis fatty acid amide hydrolase 1 0.011 0.1073 0.1073
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0411 0.4661 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0411 0.4661 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0 0.5
Schistosoma mansoni hypothetical protein 0.0179 0.1902 0.408
Echinococcus granulosus fatty acid amide hydrolase 1 0.011 0.1073 0.2301
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0 0.5
Echinococcus granulosus hormone sensitive lipase 0.0411 0.4661 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0411 0.4661 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0 0.5

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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