Detailed information for compound 1439452

Basic information

Technical information
  • TDR Targets ID: 1439452
  • Name: (4-bromophenyl)-pyrrolidin-1-ylmethanone
  • MW: 254.123 | Formula: C11H12BrNO
  • H donors: 0 H acceptors: 1 LogP: 2.56 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)Br)N1CCCC1
  • InChi: 1S/C11H12BrNO/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2
  • InChiKey: HVTDUODOHGNXMJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4-bromophenyl)-pyrrolidin-1-yl-methanone
  • (4-bromophenyl)-1-pyrrolidinylmethanone
  • MLS000523650
  • SMR000122723
  • (4-Bromo-phenyl)-pyrrolidin-1-yl-methanone
  • BAS 03215200
  • STK181758
  • ZINC00335585

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) 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
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0097 0.2725 0.2732
Schistosoma mansoni tyrosine kinase 0.0161 0.4991 0.4959
Echinococcus multilocularis insulin receptor 0.0097 0.2725 0.2732
Loa Loa (eye worm) ryanodine receptor 0.0114 0.3329 0.3395
Brugia malayi serine/threonine protein kinase 6 0.0114 0.3319 0.3319
Echinococcus multilocularis ryanodine receptor 44f 0.0247 0.7974 0.8119
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0114 0.3319 0.3341
Giardia lamblia Aurora kinase 0.0114 0.3319 0.5
Echinococcus granulosus aurora kinase A 0.0114 0.3319 0.3341
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0114 0.3319 1
Echinococcus granulosus epidermal growth factor receptor 0.0299 0.9806 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0299 0.9806 1
Brugia malayi Furin-like cysteine rich region family protein 0.0299 0.9806 0.9806
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0114 0.3319 1
Trypanosoma brucei aurora B kinase 0.0114 0.3319 1
Loa Loa (eye worm) MIR domain-containing protein 0.002 0.0064 0.0065
Schistosoma mansoni ryanodine receptor related 0.0305 1 1
Brugia malayi Protein kinase domain containing protein 0.0097 0.2725 0.2725
Loa Loa (eye worm) hypothetical protein 0.0192 0.6077 0.6197
Echinococcus granulosus epidermal growth factor receptor 0.0161 0.4991 0.5057
Trichomonas vaginalis AGC family protein kinase 0.0114 0.3319 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0114 0.3319 0.5
Loa Loa (eye worm) AUR protein kinase 0.0114 0.3319 0.3385
Echinococcus multilocularis 0.0092 0.2572 0.2574
Echinococcus granulosus ryanodine receptor 44f 0.0247 0.7974 0.8119
Brugia malayi serine/threonine kinase 12 0.0114 0.3319 0.3319
Loa Loa (eye worm) hypothetical protein 0.0037 0.0648 0.0661
Leishmania major protein kinase, putative 0.0114 0.3319 1
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0114 0.3319 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0161 0.4991 0.5057
Echinococcus multilocularis aurora kinase A 0.0114 0.3319 0.3341
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0097 0.2725 0.2732
Echinococcus granulosus insulin receptor 0.0097 0.2725 0.2732
Loa Loa (eye worm) TK/INSR protein kinase 0.0097 0.2725 0.2779
Schistosoma mansoni tyrosine kinase 0.0158 0.4883 0.485
Schistosoma mansoni tyrosine kinase 0.0158 0.4883 0.485
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0037 0.0648 0.0588
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0093 0.2607 0.2559
Schistosoma mansoni tyrosine kinase 0.0161 0.4991 0.4959
Loa Loa (eye worm) ryanodine receptor 0.0072 0.1864 0.1901
Loa Loa (eye worm) AUR protein kinase 0.0114 0.3319 0.3385
Schistosoma mansoni tyrosine kinase 0.0299 0.9806 0.9805
Trichomonas vaginalis AGC family protein kinase 0.0114 0.3319 1
Onchocerca volvulus 0.002 0.0064 0.5
Brugia malayi MIR domain containing protein 0.002 0.0064 0.0064
Entamoeba histolytica protein kinase domain containing protein 0.0114 0.3319 1
Brugia malayi serine/threonine-protein kinase 6 0.0114 0.3319 0.3319
Entamoeba histolytica protein kinase, putative 0.0114 0.3319 1
Trichomonas vaginalis AGC family protein kinase 0.0114 0.3319 1
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0114 0.3319 0.3341
Echinococcus multilocularis epidermal growth factor receptor 0.0161 0.4991 0.5057
Echinococcus multilocularis epidermal growth factor receptor 0.0299 0.9806 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0114 0.3319 0.5
Entamoeba histolytica protein kinase , putative 0.0114 0.3319 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.1377 0.1405
Brugia malayi cation channel family protein 0.013 0.3904 0.3904
Loa Loa (eye worm) AUR protein kinase 0.0114 0.3319 0.3385
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0035 0.058 0.0519
Toxoplasma gondii aurora kinase 0.0114 0.3319 0.5
Echinococcus granulosus ryanodine receptor 44f 0.0192 0.6077 0.6172
Trichomonas vaginalis AGC family protein kinase 0.0114 0.3319 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.3319 0.3276
Schistosoma mansoni tyrosine kinase 0.0097 0.2725 0.2678
Loa Loa (eye worm) hypothetical protein 0.0056 0.1294 0.1319
Schistosoma mansoni hypothetical protein 0.0075 0.1977 0.1925
Trypanosoma cruzi aurora B kinase, putative 0.0114 0.3319 1
Entamoeba histolytica protein kinase, putative 0.0114 0.3319 1
Schistosoma mansoni protein kinase 0.0114 0.3319 0.3276
Schistosoma mansoni tyrosine kinase 0.0097 0.2725 0.2678
Echinococcus multilocularis ryanodine receptor 44f 0.0192 0.6077 0.6172
Schistosoma mansoni tyrosine kinase 0.0158 0.4883 0.485

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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