Detailed information for compound 430036

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.44 | Formula: C25H22O4
  • H donors: 1 H acceptors: 3 LogP: 4.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1C(CCCc2ccc(cc2)Oc2ccccc2)C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C25H22O4/c26-23-20-10-4-5-11-21(20)24(27)25(28)22(23)12-6-7-17-13-15-19(16-14-17)29-18-8-2-1-3-9-18/h1-5,8-11,13-16,22,25,28H,6-7,12H2
  • InChiKey: CMFULNRWJMQIDR-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
Brugia malayi G protein-coupled receptor 0.0017 0.1262 0.1262
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0017 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) G-protein coupled receptor 0.0017 0.1262 0.217
Brugia malayi hypothetical protein 0.0017 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0017 0.1262 0.1262
Brugia malayi hypothetical protein 0.0017 0.1262 0.1262
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.5815 1
Onchocerca volvulus 0.0026 0.5815 1
Brugia malayi GnHR receptor homolog 0.0017 0.1262 0.1262
Brugia malayi Tachykinin-like peptides receptor 99D 0.0017 0.1262 0.1262
Loa Loa (eye worm) intermediate filament protein 0.0026 0.5815 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) G-protein coupled receptor 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Entamoeba histolytica hypothetical protein 0.0035 1 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0017 0.1262 0.217
Schistosoma mansoni hypothetical protein 0.0035 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Entamoeba histolytica hypothetical protein 0.0035 1 0.5
Brugia malayi hypothetical protein 0.0017 0.1262 0.1262
Brugia malayi Dopamine receptor 0.0017 0.1262 0.1262
Brugia malayi G-protein coupled receptor 0.0017 0.1262 0.1262
Brugia malayi hypothetical protein 0.0017 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Schistosoma mansoni transcription factor LCR-F1 0.0035 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0017 0.1262 0.217
Echinococcus multilocularis musashi 0.0026 0.5815 0.5211
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0017 0.1262 0.217
Brugia malayi neuropeptide F receptor 0.0017 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Entamoeba histolytica hypothetical protein 0.0035 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0017 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Onchocerca volvulus 0.0026 0.5815 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Brugia malayi hypothetical protein 0.0017 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Brugia malayi G-protein coupled receptor 0.0017 0.1262 0.1262
Brugia malayi intermediate filament protein 0.0026 0.5815 0.5815
Loa Loa (eye worm) melatonin receptor type 1A 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0026 0.5815 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Echinococcus granulosus lamin 0.0026 0.5815 0.5211
Brugia malayi Serotonin receptor 0.0017 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.5815 0.5815
Loa Loa (eye worm) TYRA-2 protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Brugia malayi follicle stimulating hormone receptor 0.0017 0.1262 0.1262
Brugia malayi AKH receptor 0.0017 0.1262 0.1262
Schistosoma mansoni lamin 0.0026 0.5815 0.5211
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Schistosoma mansoni lamin 0.0026 0.5815 0.5211
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0017 0.1262 0.217
Brugia malayi hypothetical protein 0.0017 0.1262 0.1262
Brugia malayi G protein-coupled receptor F59B2.13 0.0017 0.1262 0.1262
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0026 0.5586 0.9606
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 1 1
Brugia malayi hypothetical protein 0.0017 0.1262 0.1262
Brugia malayi hypothetical protein 0.0017 0.1262 0.1262
Entamoeba histolytica hypothetical protein 0.0035 1 0.5
Schistosoma mansoni intermediate filament proteins 0.0026 0.5815 0.5211
Brugia malayi larval opioid receptor 0.0017 0.1262 0.1262
Loa Loa (eye worm) neuropeptide F receptor 0.0017 0.1262 0.217
Brugia malayi RE15519p 0.0017 0.1262 0.1262
Brugia malayi putative neuropeptide receptor NPR1 0.0017 0.1262 0.1262
Echinococcus multilocularis lamin 0.0026 0.5815 0.5211
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0017 0.1262 0.1262
Brugia malayi Dopamine receptor protein 1 0.0017 0.1262 0.1262
Brugia malayi sulfakinin receptor protein 0.0017 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Brugia malayi neuropeptide F receptor 0.0017 0.1262 0.1262
Brugia malayi Dopamine receptor protein 2 0.0017 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Brugia malayi Melatonin receptor type 1A 0.0017 0.1262 0.1262
Echinococcus granulosus lamin dm0 0.0026 0.5815 0.5211
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Brugia malayi putative neuropeptide receptor 0.0017 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Brugia malayi hypothetical protein 0.0017 0.1262 0.1262
Brugia malayi hypothetical protein 0.0017 0.1262 0.1262
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0017 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Brugia malayi Serotonin receptor 0.0017 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Brugia malayi ORL1-like opioid receptor 0.0017 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217
Echinococcus multilocularis lamin dm0 0.0026 0.5815 0.5211
Echinococcus granulosus intermediate filament protein 0.0026 0.5815 0.5211
Loa Loa (eye worm) hypothetical protein 0.0017 0.1262 0.217

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) = 75 uM Cytotoxicity against HUVEC after 24 hrs by MTT assay ChEMBL. 17591441
IC50 (ADMET) = 75 uM Cytotoxicity against HUVEC after 24 hrs by MTT assay ChEMBL. 17591441

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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