Detailed information for compound 209974

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 338.357 | Formula: C19H18N2O4
  • H donors: 2 H acceptors: 3 LogP: 2.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)COc1cccn2c1=C(C(=O)N)C(/C/2=C/c1ccccc1)C
  • InChi: 1S/C19H18N2O4/c1-12-14(10-13-6-3-2-4-7-13)21-9-5-8-15(25-11-16(22)23)18(21)17(12)19(20)24/h2-10,12H,11H2,1H3,(H2,20,24)(H,22,23)/b14-10-
  • InChiKey: CBYRULZDLPFYPK-UVTDQMKNSA-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 Suppressor of lurcher protein 1 precursor 0.0072 0.0267 0.0956
Echinococcus multilocularis laminin 0.0275 0.2795 0.2597
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0853 1 1
Loa Loa (eye worm) hypothetical protein 0.0348 0.3697 0.3697
Loa Loa (eye worm) hypothetical protein 0.0819 0.9567 0.9567
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0247 0.245 0.8764
Loa Loa (eye worm) hypothetical protein 0.0072 0.0267 0.0267
Brugia malayi Nematode astacin protease protein 30 0.0107 0.07 0.2504
Brugia malayi Lectin C-type domain containing protein 0.0072 0.0267 0.0956
Echinococcus granulosus laminin 0.0275 0.2795 0.2597
Loa Loa (eye worm) CUB domain-containing protein 0.0072 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0275 0.2795 0.2795
Brugia malayi Fibulin-1 precursor 0.0275 0.2795 1
Brugia malayi CUB domain containing protein 0.0072 0.0267 0.0956
Loa Loa (eye worm) hypothetical protein 0.0107 0.07 0.07
Toxoplasma gondii calcium binding egf domain-containing protein 0.0275 0.2795 0.5
Brugia malayi CUB domain containing protein 0.0072 0.0267 0.0956
Loa Loa (eye worm) hypothetical protein 0.0247 0.245 0.245
Brugia malayi CUB domain containing protein 0.0072 0.0267 0.0956
Loa Loa (eye worm) hypothetical protein 0.0072 0.0267 0.0267
Loa Loa (eye worm) AStacin protease 0.0534 0.6014 0.6014
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0072 0.0267 0.0267
Loa Loa (eye worm) CUB domain-containing protein 0.0072 0.0267 0.0267
Echinococcus multilocularis Tolloid protein 1 0.0853 1 1
Onchocerca volvulus 0.0107 0.07 0.1982
Brugia malayi Kelch motif family protein 0.0072 0.0267 0.0956
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0077 0.032 0.0054
Loa Loa (eye worm) zinc metalloproteinase toh-2 0.0107 0.07 0.07
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0072 0.0267 0.5
Schistosoma mansoni egf-like domain protein 0.0247 0.245 0.2242
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0072 0.0267 0.5
Brugia malayi zinc metalloproteinase toh-2 precursor 0.0107 0.07 0.2504
Loa Loa (eye worm) hypothetical protein 0.0072 0.0267 0.0267
Loa Loa (eye worm) lectin C-type domain-containing protein 0.0072 0.0267 0.0267
Onchocerca volvulus Putative cubilin 0.01 0.0613 0.1584
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.0267 0.5
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0853 1 1
Brugia malayi astacin protease protein 30 0.0107 0.07 0.2504
Brugia malayi CUB domain containing protein 0.0072 0.0267 0.0956
Loa Loa (eye worm) hypothetical protein 0.0247 0.245 0.245
Brugia malayi hypothetical protein 0.0072 0.0267 0.0956
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0247 0.245 0.245
Loa Loa (eye worm) hypothetical protein 0.0072 0.0267 0.0267
Toxoplasma gondii calcium binding egf domain-containing protein 0.0275 0.2795 0.5
Loa Loa (eye worm) DPY-31 protein 0.0107 0.07 0.07
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0072 0.0267 0.5
Echinococcus multilocularis fibrillin 1 0.0275 0.2795 0.2597
Brugia malayi Zinc metalloproteinase toh-2 precursor 0.0107 0.07 0.2504
Brugia malayi CUB domain containing protein 0.0072 0.0267 0.0956
Onchocerca volvulus Arrow homolog 0.0247 0.245 1
Brugia malayi Calcium binding EGF domain containing protein 0.01 0.0613 0.2193
Loa Loa (eye worm) hypothetical protein 0.0072 0.0267 0.0267
Brugia malayi Nematode astacin protease protein 30 0.0107 0.07 0.2504
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0275 0.2795 0.2795
Loa Loa (eye worm) hypothetical protein 0.0072 0.0267 0.0267
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0077 0.032 0.0054
Loa Loa (eye worm) hypothetical protein 0.0072 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.01 0.0613 0.0613
Brugia malayi Calcium binding EGF domain containing protein 0.0275 0.2795 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.42 mM Inhibition of recombinant human secretory Phospholipase A2 (s-PLA2) ChEMBL. 8809154
IC50 (binding) = 0.42 mM Inhibition of recombinant human secretory Phospholipase A2 (s-PLA2) ChEMBL. 8809154

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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