Detailed information for compound 1436498

Basic information

Technical information
  • TDR Targets ID: 1436498
  • Name: 1-(4-bromophenyl)-3-(4-hydroxypiperidin-1-yl) pyrrolidine-2,5-dione
  • MW: 353.211 | Formula: C15H17BrN2O3
  • H donors: 1 H acceptors: 3 LogP: 1.43 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1CCN(CC1)C1CC(=O)N(C1=O)c1ccc(cc1)Br
  • InChi: 1S/C15H17BrN2O3/c16-10-1-3-11(4-2-10)18-14(20)9-13(15(18)21)17-7-5-12(19)6-8-17/h1-4,12-13,19H,5-9H2
  • InChiKey: RNKIHSHAKMOKJX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-bromophenyl)-3-(4-hydroxy-1-piperidyl)pyrrolidine-2,5-dione
  • 1-(4-bromophenyl)-3-(4-hydroxy-1-piperidinyl)pyrrolidine-2,5-dione
  • 1-(4-bromophenyl)-3-(4-hydroxy-1-piperidyl)pyrrolidine-2,5-quinone
  • MLS000109662
  • SMR000105602
  • STK105078
  • BIM-0042591.P001
  • CBMicro_042605

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Endoplasmin precursor 0.0132 0.251 0.5
Trypanosoma brucei heat shock protein, putative 0.0132 0.251 0.5
Trichomonas vaginalis heat shock protein, putative 0.0105 0.1262 0.1137
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 1 1
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Trichomonas vaginalis heat shock protein, putative 0.0105 0.1262 0.1137
Echinococcus granulosus heat shock protein 90 0.0132 0.251 1
Schistosoma mansoni heat shock protein 0.0132 0.251 0.5
Schistosoma mansoni heat shock protein 0.0132 0.251 0.5
Trypanosoma brucei heat shock protein, putative 0.0132 0.251 0.5
Trypanosoma brucei heat shock protein, putative 0.0132 0.251 0.5
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Trypanosoma brucei heat shock protein 90, putative 0.0132 0.251 0.5
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 1 1
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Trypanosoma brucei heat shock protein, putative 0.0132 0.251 0.5
Trypanosoma brucei Heat shock protein 83, putative 0.0132 0.251 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.0132 0.251 1
Schistosoma mansoni endoplasmin 0.0132 0.251 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 1 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0294 1 1
Trypanosoma brucei heat shock protein, putative 0.0132 0.251 0.5
Trypanosoma brucei heat shock protein, putative 0.0132 0.251 0.5
Plasmodium vivax endoplasmin, putative 0.0132 0.251 0.5
Trypanosoma brucei heat shock protein, putative 0.0132 0.251 0.5
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0132 0.251 1
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Trypanosoma cruzi heat shock protein 90, putative 0.0105 0.1262 0.503
Trichomonas vaginalis heat shock protein, putative 0.0132 0.251 0.2402
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0144 0.3036 1
Toxoplasma gondii heat shock protein HSP90 0.0132 0.251 0.5
Trypanosoma cruzi heat shock protein 90, putative 0.0132 0.251 1
Trypanosoma cruzi heat shock protein 85, putative 0.0105 0.1262 0.503
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0144 0.3036 1
Plasmodium falciparum heat shock protein 90 0.0132 0.251 1
Schistosoma mansoni endoplasmin 0.0132 0.251 0.5
Toxoplasma gondii heat shock protein 90, putative 0.0132 0.251 0.5
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 1 1
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0294 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 1 1
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0105 0.1262 0.5
Loa Loa (eye worm) endoplasmin 0.0132 0.251 0.5
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Trypanosoma brucei heat shock protein 90, putative 0.0132 0.251 0.5
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Plasmodium vivax heat shock protein 86, putative 0.0132 0.251 0.5
Echinococcus granulosus heat shock protein 0.0132 0.251 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 1 1
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Trypanosoma cruzi heat shock protein 85, putative 0.0132 0.251 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0144 0.3036 1
Treponema pallidum fructose-bisphosphate aldolase 0.0294 1 1
Echinococcus multilocularis heat shock protein 0.0132 0.251 1
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Trichomonas vaginalis heat shock protein, putative 0.0105 0.1262 0.1137
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 1 1
Loa Loa (eye worm) heat shock protein 90 0.0132 0.251 0.5
Leishmania major heat shock protein 83-1 0.0132 0.251 1
Trypanosoma cruzi heat shock protein 85, putative 0.0132 0.251 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 1 1
Brugia malayi heat shock protein 90 0.0132 0.251 0.5
Echinococcus multilocularis heat shock protein 90 0.0132 0.251 1
Trypanosoma brucei heat shock protein, putative 0.0132 0.251 0.5
Giardia lamblia Heat shock protein HSP 90-alpha 0.0132 0.251 0.1428

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.