Detailed information for compound 320756

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.35 | Formula: C17H20N2O7
  • H donors: 3 H acceptors: 4 LogP: 0.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC(CC1O)n1cc(COc2ccc(cc2)OC)c(=O)[nH]c1=O
  • InChi: 1S/C17H20N2O7/c1-24-11-2-4-12(5-3-11)25-9-10-7-19(17(23)18-16(10)22)15-6-13(21)14(8-20)26-15/h2-5,7,13-15,20-21H,6,8-9H2,1H3,(H,18,22,23)
  • InChiKey: UIDYWKFMZOBOHE-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
Echinococcus granulosus acetylcholinesterase 0.0753 1 1
Brugia malayi UDP-GlcNAc:a-6-D-mannoside b1,2-N-acetylglucosaminyltransferase II 0.0387 0.3942 0.3749
Loa Loa (eye worm) acetylcholinesterase 1 0.0753 1 1
Echinococcus granulosus carboxylesterase 5A 0.0753 1 1
Loa Loa (eye worm) hypothetical protein 0.0387 0.3942 0.3942
Echinococcus multilocularis carboxylesterase 5A 0.0753 1 1
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.0387 0.3942 0.3749
Echinococcus multilocularis acetylcholinesterase 0.0753 1 1
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0168 0.0309 0.0309
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0753 1 1
Echinococcus granulosus acetylcholinesterase 0.0753 1 1
Leishmania major diacylglycerol acyltransferase, putative 0.0168 0.0309 0.5
Trypanosoma brucei RNA helicase, putative 0.0447 0.4926 1
Loa Loa (eye worm) hypothetical protein 0.0753 1 1
Loa Loa (eye worm) carboxylesterase 0.0753 1 1
Schistosoma mansoni hypothetical protein 0.0447 0.4926 0.4764
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0168 0.0309 0.5
Brugia malayi Carboxylesterase family protein 0.0753 1 1
Onchocerca volvulus 0.0168 0.0309 0.5
Echinococcus multilocularis acetylcholinesterase 0.0753 1 1
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0168 0.0309 0.5
Toxoplasma gondii dgat2l1-prov protein 0.0168 0.0309 0.5
Loa Loa (eye worm) hypothetical protein 0.0299 0.2485 0.2485
Loa Loa (eye worm) hypothetical protein 0.0557 0.6758 0.6758
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0707 0.9243 0.9218
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0258 0.1796 0.1534
Loa Loa (eye worm) hypothetical protein 0.0753 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 200 uM Inhibitory concentration of the compound against HeLa cell proliferation after 72 hours of incubation ChEMBL. 15582414

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

1 literature reference was collected for this gene.

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