Detailed information for compound 1733430

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 370.397 | Formula: C24H18O4
  • H donors: 1 H acceptors: 2 LogP: 4.98 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)/C=C/c1c2ccc(cc2oc(=O)c1c1ccccc1)O
  • InChi: 1S/C24H18O4/c1-27-19-11-7-16(8-12-19)9-13-21-20-14-10-18(25)15-22(20)28-24(26)23(21)17-5-3-2-4-6-17/h2-15,25H,1H3/b13-9+
  • InChiKey: VZHZTGYRKIPMMA-UKTHLTGXSA-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
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0328 1 1
Giardia lamblia Hypothetical protein 0.0296 0.8746 0.8746
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0328 1 1
Brugia malayi transcriptional regulator, Sir2 family protein 0.0296 0.8746 0.8746
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0328 1 1
Mycobacterium ulcerans NAD-dependent deacetylase 0.0076 0 0.5
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0296 0.8746 1
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0296 0.8746 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0328 1 1
Loa Loa (eye worm) transcriptional regulator 0.0296 0.8746 0.8746
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0296 0.8746 0.8746
Schistosoma mansoni chromatin regulatory protein sir2 0.0296 0.8746 0.8746
Loa Loa (eye worm) hypothetical protein 0.0252 0.6973 0.6973
Echinococcus multilocularis chromatin regulatory protein sir2 0.0296 0.8746 0.8746
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0076 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0328 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0208 0.5246 0.5
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0296 0.8746 1
Loa Loa (eye worm) hypothetical protein 0.0208 0.5246 0.5246
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0296 0.8746 1
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0076 0 0.5
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0296 0.8746 1
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0328 1 1
Toxoplasma gondii histone deacetylase SIR2-like 0.0076 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0076 0 0.5
Brugia malayi ecdysteroid receptor 0.0208 0.5246 0.5246
Schistosoma mansoni chromatin regulatory protein sir2 0.0296 0.8746 0.8746
Echinococcus granulosus chromatin regulatory protein sir2 0.0296 0.8746 0.8746
Schistosoma mansoni chromatin regulatory protein sir2 0.0296 0.8746 0.8746
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0328 1 1
Plasmodium vivax NAD-dependent deacetylase, putative 0.0076 0 0.5
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0296 0.8746 0.8746
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0328 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0328 1 1
Toxoplasma gondii histone deacetylase SIR2 0.0076 0 0.5
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0076 0 0.5
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0296 0.8746 0.8746
Leishmania major silent information regulator 2, putative 0.0296 0.8746 1
Mycobacterium ulcerans Sir2-like regulatory protein 0.0076 0 0.5
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0296 0.8746 0.8746

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) > 250 ug ml-1 Cytotoxicity against human HEK293 cells assessed as inhibition of cell viability after 24 hrs by MTT assay ChEMBL. 23369537
MIC (functional) = 125 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 assessed as growth inhibition measured every 24 hrs by BACTEC radiosusceptibility assay ChEMBL. 23369537

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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