Detailed information for compound 1936756

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.369 | Formula: C20H19NO4
  • H donors: 1 H acceptors: 1 LogP: 4.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/c1cc(OC)ccc1OC)\COc1cccc2c1cccc2
  • InChi: 1S/C20H19NO4/c1-23-15-10-11-19(24-2)17(12-15)18(21-22)13-25-20-9-5-7-14-6-3-4-8-16(14)20/h3-12,22H,13H2,1-2H3/b21-18+
  • InChiKey: NIICGBTZRPKQSG-DYTRJAOYSA-N  


Substructure search Similarity search

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
Toxoplasma gondii proteasome subunit beta type, putative 0.0364 0.4562 1
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0638 1 1
Echinococcus multilocularis proteasome subunit beta type 7 0.0638 1 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0364 0.4562 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0364 0.4562 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0364 0.4562 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0364 0.4562 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0364 0.4562 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0364 0.4562 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0364 0.4562 0.5
Leishmania major proteasome beta 5 subunit, putative 0.0364 0.4562 1
Mycobacterium ulcerans short chain dehydrogenase 0.0632 0.9887 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0632 0.9887 1
Plasmodium falciparum proteasome subunit beta type-5 0.0364 0.4562 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0364 0.4562 1
Echinococcus granulosus proteasome subunit beta type 7 0.0638 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0364 0.4562 1

Activities

Activity type Activity value Assay description Source Reference
FC (binding) = 0.93 Activation of Nrf2 in human NPC-TW01 or HONE1 cells expressing ARE-luciferase at 20 uM incubated for 16 hrs by luciferase reporter gene assay relative to untreated control ChEMBL. 25907366
IC50 (ADMET) > 50 uM Cytotoxicity against human Jurkat cells assessed as reduction in cell viability by MTT assay ChEMBL. 25907366

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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