Detailed information for compound 39897

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 472.486 | Formula: C28H24O7
  • H donors: 2 H acceptors: 5 LogP: 6.48 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(OC(C1=CC(=O)c2c(C1=O)c(O)ccc2O)CC=C(C)C)COc1ccc2c(c1)cccc2
  • InChi: 1S/C28H24O7/c1-16(2)7-12-24(20-14-23(31)26-21(29)10-11-22(30)27(26)28(20)33)35-25(32)15-34-19-9-8-17-5-3-4-6-18(17)13-19/h3-11,13-14,24,29-30H,12,15H2,1-2H3
  • InChiKey: VEIVPBUPPBVIBG-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 voltage dependent calcium channel subunit 0.082 0.4126 0.4126
Loa Loa (eye worm) hypothetical protein 0.0153 0.0137 0.0982
Echinococcus multilocularis small conductance calcium activated potassium 0.0153 0.0137 0.0137
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0396 0.1595 0.4062
Brugia malayi Cache domain containing protein 0.0363 0.1395 0.5
Schistosoma mansoni hypothetical protein 0.0423 0.1756 0.4474
Schistosoma mansoni calcium-activated potassium channel 0.0145 0.0093 0.0236
Echinococcus granulosus small conductance calcium activated potassium 0.0153 0.0137 0.0137
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0786 0.3926 1
Schistosoma mansoni calcium-activated potassium channel 0.0153 0.0137 0.0349
Echinococcus multilocularis voltage dependent calcium channel subunit 0.082 0.4126 0.4126
Schistosoma mansoni serine-rich repeat protein 0.0423 0.1756 0.4474
Schistosoma mansoni amine GPCR 0.0333 0.1214 0.3093
Schistosoma mansoni hypothetical protein 0.0153 0.0137 0.0349
Loa Loa (eye worm) hypothetical protein 0.0363 0.1395 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.1803 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 The compound was tested in vitro for its cytotoxicity against human A-549 cancer cell line by MTT method at 1 uM concentration; No inhibition ChEMBL. 11992780
Activity (functional) 0 The compound was tested in vitro for its cytotoxicity against human P-388 cancer cell line by MTT method at 1 uM concentration; No inhibition ChEMBL. 11992780
Activity (functional) 0 The compound was tested in vitro for its cytotoxicity against human HL-60 cancer cell line by MTT method at 1 uM concentration; Slight inhibition ChEMBL. 11992780

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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