Detailed information for compound 1304806

Basic information

Technical information
  • TDR Targets ID: 1304806
  • Name: EU-0047152
  • MW: 450.122 | Formula: C15H18Br2N2O4
  • H donors: 0 H acceptors: 3 LogP: 0.44 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: BrC1C(Br)C2CC1C1C2C(=O)N(C1=O)CC(=O)N1CCOCC1
  • InChi: 1S/C15H18Br2N2O4/c16-12-7-5-8(13(12)17)11-10(7)14(21)19(15(11)22)6-9(20)18-1-3-23-4-2-18/h7-8,10-13H,1-6H2
  • InChiKey: YJCKJUMSYSQRHJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • AK-918/12348036
  • STK286052
  • 8,9-dibromo-4-[2-(4-morpholinyl)-2-oxoethyl]-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
  • MLS000699633
  • SMR000227028

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 peptidylprolyl isomerase 0.0033 0.4222 1
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.437 0.4239
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0228 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.437 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.4222 0.5
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0033 0.4222 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0228 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0064 1 1
Loa Loa (eye worm) TAR-binding protein 0.0064 1 1
Onchocerca volvulus 0.0012 0.0228 0.5
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Echinococcus granulosus expressed protein 0.0034 0.437 0.4239
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.4222 1
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0228 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.4222 1
Trichomonas vaginalis rotamase, putative 0.0034 0.437 1
Echinococcus multilocularis tar DNA binding protein 0.0064 1 1
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Brugia malayi TAR-binding protein 0.0064 1 1
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.001 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.4222 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.437 0.4239
Echinococcus multilocularis expressed protein 0.0034 0.437 0.4239
Loa Loa (eye worm) RNA binding protein 0.0064 1 1
Schistosoma mansoni rotamase 0.0034 0.437 0.4239
Echinococcus granulosus tar DNA binding protein 0.0064 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 47.55 um PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminopeptidase (M17LAP). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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