Detailed information for compound 1562034

Basic information

Technical information
  • TDR Targets ID: 1562034
  • Name: 3,4-di(phenyl)cyclopent-3-en-1-one
  • MW: 234.292 | Formula: C17H14O
  • H donors: 0 H acceptors: 1 LogP: 2.82 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC(=C(C1)c1ccccc1)c1ccccc1
  • InChi: 1S/C17H14O/c18-15-11-16(13-7-3-1-4-8-13)17(12-15)14-9-5-2-6-10-14/h1-10H,11-12H2
  • InChiKey: MQUNFFXYECDJOU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3,4-di(phenyl)-1-cyclopent-3-enone
  • 7402-06-4
  • NSC54811

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens golgi-associated PDZ and coiled-coil motif containing No references
Homo sapiens cystic fibrosis transmembrane conductance regulator (ATP-binding cassette sub-family C, member 7) No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax multidrug resistance-associated protein 1, putative Get druggable targets OG5_140335 All targets in OG5_140335
Loa Loa (eye worm) gopc protein Get druggable targets OG5_135852 All targets in OG5_135852
Brugia malayi gopc protein Get druggable targets OG5_135852 All targets in OG5_135852
Cryptosporidium parvum ATP-binding cassette, sub-family C (CFTR/MRP), member 2; Canalicular multispecific organic anion transporter; multidrug resist Get druggable targets OG5_140335 All targets in OG5_140335
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
Plasmodium falciparum glutathione S-transferase 0.0061 0.0997 1
Echinococcus granulosus lamin dm0 0.0026 0.0335 0.2797
Schistosoma mansoni glutathione-S-transferase 0.0061 0.0997 1
Echinococcus multilocularis lamin 0.0026 0.0335 0.2797
Schistosoma mansoni lamin 0.0026 0.0335 0.259
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0014 0.0104 1
Echinococcus multilocularis lamin dm0 0.0026 0.0335 0.2797
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0957 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0957 1
Loa Loa (eye worm) hypothetical protein 0.0255 0.4652 0.4652
Echinococcus multilocularis glutathione S transferase 0.0061 0.0997 1
Echinococcus granulosus glutathione s transferase mu 0.0061 0.0997 1
Echinococcus multilocularis eukaryotic translation elongation factor 1 0.0014 0.0104 0.0279
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0335 0.0272
Echinococcus multilocularis musashi 0.0026 0.0335 0.2797
Echinococcus granulosus glutathione S transferase 0.0014 0.0104 0.0279
Schistosoma mansoni Glutathione S-transferase 28 kDa (GST 28) (GST class-mu) 0.0061 0.0997 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0014 0.0104 1
Echinococcus granulosus prostaglandin H2 D isomerase 0.0061 0.0997 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0014 0.0104 1
Leishmania major elongation factor 1-gamma, putative 0.0014 0.0104 0.0435
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0957 0.9549
Loa Loa (eye worm) hypothetical protein 0.0012 0.0069 0.0069
Echinococcus multilocularis glutathione S transferase 0.0061 0.0997 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0014 0.0104 1
Echinococcus multilocularis glutathione s transferase mu 0.0061 0.0997 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0065 0.0065
Trichomonas vaginalis glutaminyl-tRNA synthetase, putative 0.0047 0.0732 0.5
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0335 0.0335
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0105 0.0105
Schistosoma mansoni GST class-mu 0.0061 0.0997 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0014 0.0104 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0078 0.0078
Trypanosoma brucei elongation factor 1 gamma, putative 0.0014 0.0104 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0014 0.0104 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0014 0.0104 1
Loa Loa (eye worm) gopc protein 0.0538 1 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0014 0.0104 1
Brugia malayi follicle stimulating hormone receptor 0.0226 0.4105 0.4066
Trypanosoma brucei elongation factor 1 gamma, putative 0.0014 0.0104 1
Brugia malayi Glutathione S-transferase 4 0.0047 0.0732 0.0671
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0014 0.0104 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0065 0.0065
Echinococcus multilocularis glutathione S transferase 0.0014 0.0104 0.0279
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0957 1
Trypanosoma brucei hypothetical protein, conserved 0.0014 0.0104 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0335 0.0335
Echinococcus multilocularis glutathione S transferase 0.0047 0.0732 0.7113
Loa Loa (eye worm) hypothetical protein 0.0047 0.0732 0.0732
Plasmodium vivax glutathione S-transferase, putative 0.0061 0.0997 0.1379
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0957 1
Echinococcus granulosus glutathione S transferase 0.0014 0.0104 0.0279
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0335 0.0335
Loa Loa (eye worm) hypothetical protein 0.0012 0.0069 0.0069
Echinococcus granulosus glutathione S transferase 0.0047 0.0732 0.7113
Echinococcus granulosus intermediate filament protein 0.0026 0.0335 0.2797
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0957 0.9562
Echinococcus granulosus eukaryotic translation elongation factor 1 0.0014 0.0104 0.0279
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0357 0.6581 1
Echinococcus granulosus glutathione S transferase 0.0061 0.0997 1
Schistosoma mansoni lamin 0.0026 0.0335 0.259
Leishmania major elongation factor-1 gamma 0.0014 0.0104 0.0435
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.4105 0.4105
Onchocerca volvulus 0.0047 0.0732 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0957 0.9549
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0014 0.0104 1
Echinococcus multilocularis glutathione S transferase 0.0047 0.0732 0.7113
Brugia malayi glutathione transferase 0.0255 0.4652 0.4617
Echinococcus multilocularis glutathione S-transferase 0.0061 0.0997 1
Echinococcus granulosus lamin 0.0026 0.0335 0.2797
Schistosoma mansoni intermediate filament proteins 0.0026 0.0335 0.259
Brugia malayi intermediate filament protein 0.0026 0.0335 0.0272
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0014 0.0104 1
Echinococcus multilocularis prostaglandin H2 D isomerase 0.0061 0.0997 1
Echinococcus multilocularis glutathione S transferase 0.0014 0.0104 0.0279
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0957 1
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0065 0.0065
Echinococcus multilocularis glutathione S transferase 0.0061 0.0997 1
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0105 0.004
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0957 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0014 0.0104 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0014 0.0104 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0014 0.0104 1
Leishmania major hypothetical protein, conserved 0.0014 0.0104 0.0435
Loa Loa (eye worm) hypothetical protein 0.0026 0.0326 0.0326
Echinococcus granulosus glutathione S transferase Mu 1 0.0061 0.0997 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0957 0.9562

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 18.702 uM PUBCHEM_BIOASSAY: Fluorescence Polarization with Cer CAL-PDZ Measured in Biochemical System Using Plate Reader - 2109-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504435] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (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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