Detailed information for compound 1793580

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 720.851 | Formula: C46H44N2O6
  • H donors: 0 H acceptors: 4 LogP: 6.05 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccccc1N1C2=C(C(=O)CCC2)C(C2=C1CCCC2=O)c1cccc(c1)C1C2=C(CCCC2=O)N(C2=C1C(=O)CCC2)c1ccccc1OC
  • InChi: 1S/C46H44N2O6/c1-53-39-24-5-3-14-29(39)47-31-16-8-20-35(49)43(31)41(44-32(47)17-9-21-36(44)50)27-12-7-13-28(26-27)42-45-33(18-10-22-37(45)51)48(30-15-4-6-25-40(30)54-2)34-19-11-23-38(52)46(34)42/h3-7,12-15,24-26,41-42H,8-11,16-23H2,1-2H3
  • InChiKey: BSCJLLOSUVJYFT-UHFFFAOYSA-N  

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
Schistosoma mansoni embryonic ectoderm development protein 0.0101 0.1781 0.1781
Schistosoma mansoni enhancer of zeste ezh 0.0505 1 1
Entamoeba histolytica WD domain containing protein 0.0013 0 0.5
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0013 0 0.5
Plasmodium vivax chromatin assembly factor 1 protein WD40 domain, putative 0.0013 0 0.5
Loa Loa (eye worm) SET domain-containing protein 0.0505 1 1
Schistosoma mansoni hypothetical protein 0.0345 0.6733 0.6733
Plasmodium falciparum chromatin assembly factor 1 subunit, putative 0.0013 0 0.5
Echinococcus multilocularis polycomb protein suz12 A 0.0345 0.6733 0.6733
Leishmania major hypothetical protein, conserved 0.0013 0 0.5
Toxoplasma gondii RbAp46 0.0013 0 0.5
Plasmodium vivax chromatin assembly factor 1 P55 subunit, putative 0.0013 0 0.5
Plasmodium vivax chromatin assembly factor 1 P55 subunit, putative 0.0013 0 0.5
Echinococcus granulosus polycomb protein EED 0.0101 0.1781 0.1781
Plasmodium falciparum chromatin assembly factor 1 P55 subunit, putative 0.0013 0 0.5
Brugia malayi WD domain containing protein 0.0101 0.1781 0.045
Loa Loa (eye worm) WD domain-containing protein 0.0101 0.1781 0.045
Onchocerca volvulus 0.0081 0.1394 0.5
Toxoplasma gondii RbAp48 0.0013 0 0.5
Plasmodium falciparum chromatin assembly factor 1 protein WD40 domain, putative 0.0013 0 0.5
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0505 1 1
Echinococcus granulosus polycomb protein suz12 A 0.0345 0.6733 0.6733
Giardia lamblia Histone acetyltransferase type B subunit 2 0.0013 0 0.5
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0505 1 1
Echinococcus multilocularis polycomb protein EED 0.0101 0.1781 0.1781

Activities

Activity type Activity value Assay description Source Reference
DIZ (functional) Antibacterial activity against Escherichia coli ATCC 35218 after 24 hr by disk diffusion method ChEMBL. No reference
DIZ (functional) Antifungal activity against Saccharomyces cerevisiae TP (3-2) after 24 hr by disk diffusion method ChEMBL. No reference
DIZ (functional) Antifungal activity against Candida albicans 16231 after 24 hr by disk diffusion method ChEMBL. No reference

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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