Detailed information for compound 46697

Basic information

Technical information
  • TDR Targets ID: 46697
  • Name: 4-(4-methoxy-3-phenylmethoxyphenyl)pyrrolidin -2-one
  • MW: 297.348 | Formula: C18H19NO3
  • H donors: 1 H acceptors: 1 LogP: 2.43 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OCc1ccccc1)C1CNC(=O)C1
  • InChi: 1S/C18H19NO3/c1-21-16-8-7-14(15-10-18(20)19-11-15)9-17(16)22-12-13-5-3-2-4-6-13/h2-9,15H,10-12H2,1H3,(H,19,20)
  • InChiKey: QLIBRFKGUKUNLP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(3-benzyloxy-4-methoxy-phenyl)pyrrolidin-2-one
  • 4-(3-benzyloxy-4-methoxyphenyl)-2-pyrrolidinone
  • 4-(4-methoxy-3-phenylmethoxy-phenyl)pyrrolidin-2-one
  • 4-(3-benzoxy-4-methoxy-phenyl)-2-pyrrolidone
  • 4-[4-methoxy-3-(phenylmethoxy)phenyl]pyrrolidin-2-one
  • 4-[4-methoxy-3-(phenylmethoxy)phenyl]-2-pyrrolidinone
  • 4-[3-(benzyloxy)-4-methoxy-phenyl]-2-pyrrolidone

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
Echinococcus granulosus dna polymerase kappa 0.0021 0.1149 0.1025
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.1995 0.1256
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.1149 0.078
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.1995 0.1256
Brugia malayi AMP-binding enzyme family protein 0.0026 0.1995 0.1703
Loa Loa (eye worm) TAR-binding protein 0.0069 0.9598 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.1995 0.1429
Loa Loa (eye worm) hypothetical protein 0.0031 0.292 0.3017
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.1335 0.1359
Schistosoma mansoni ap endonuclease 0.0022 0.1335 0.0905
Brugia malayi AMP-binding enzyme family protein 0.0026 0.1995 0.1703
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.1149 0.8605
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.1149 0.0524
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.1995 0.0956
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.3984 0.3874
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.1149 0.8605
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.1149 0.8605
Echinococcus multilocularis lamin 0.0032 0.3022 0.2925
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0845 0.0199
Brugia malayi AMP-binding enzyme family protein 0.0026 0.1995 0.1703
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.6903 0.675
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0473 0.034
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.1149 0.071
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0473 0.034
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.1995 0.1429
Echinococcus granulosus lamin 0.0032 0.3022 0.2925
Schistosoma mansoni aldehyde dehydrogenase 0.0072 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.1149 0.1164
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.1995 0.1256
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.1335 0.0984
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.1335 0.021
Echinococcus multilocularis lamin dm0 0.0032 0.3022 0.2925
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.6903 0.686
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.1149 0.8605
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0434 0.0416
Loa Loa (eye worm) hypothetical protein 0.0019 0.0845 0.0847
Loa Loa (eye worm) hypothetical protein 0.0021 0.1149 0.1164
Brugia malayi RNA binding protein 0.0069 0.9598 1
Echinococcus multilocularis GPCR, family 2 0.0017 0.0473 0.034
Loa Loa (eye worm) hypothetical protein 0.0026 0.1995 0.2049
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0473 0.0043
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.1149 0.1025
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.1335 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.6903 0.675
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0473 0.034
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.1335 0.1214
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.6903 0.686
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.1335 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0072 1 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.1995 0.1256
Loa Loa (eye worm) hypothetical protein 0.0019 0.0845 0.0847
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.6903 0.675
Echinococcus granulosus dna polymerase eta 0.0021 0.1149 0.1025
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.1335 0.5
Trypanosoma brucei unspecified product 0.0021 0.1149 0.8605
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.1335 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.1149 0.1025
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.1335 1
Schistosoma mansoni lamin 0.0032 0.3022 0.2676
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.9598 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0072 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.1995 0.2049
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.6903 0.706
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.1149 0.8605
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.1149 0.8605
Echinococcus granulosus intermediate filament protein 0.0032 0.3022 0.2925
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.1149 0.8605
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.1995 1
Schistosoma mansoni ap endonuclease 0.0022 0.1335 0.0905
Loa Loa (eye worm) hypothetical protein 0.0017 0.0473 0.0457
Brugia malayi intermediate filament protein 0.0032 0.3022 0.2825
Loa Loa (eye worm) hypothetical protein 0.0019 0.0845 0.0847
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0473 0.0043
Schistosoma mansoni tar DNA-binding protein 0.0069 0.9598 0.9578
Loa Loa (eye worm) hypothetical protein 0.0037 0.3984 0.4129
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.1335 1
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.3022 0.2825
Schistosoma mansoni aldehyde dehydrogenase 0.0072 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0473 0.0457
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.1149 0.8605
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0072 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.6903 0.686
Schistosoma mansoni intermediate filament proteins 0.0032 0.3022 0.2676
Loa Loa (eye worm) hypothetical protein 0.0019 0.0845 0.0847
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.1335 0.2201
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.1995 1
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.1149 0.0332
Schistosoma mansoni tar DNA-binding protein 0.0069 0.9598 0.9578
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.1149 0.8605
Schistosoma mansoni DNA polymerase eta 0.0021 0.1149 0.071
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.1149 0.8605
Echinococcus multilocularis musashi 0.0032 0.3022 0.2925
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.1335 1
Onchocerca volvulus 0.0032 0.3022 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.3022 0.3123
Brugia malayi TAR-binding protein 0.0069 0.9598 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.1149 0.078
Echinococcus granulosus lamin dm0 0.0032 0.3022 0.2925
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.1995 0.0956
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.1149 0.8605
Loa Loa (eye worm) RNA binding protein 0.0069 0.9598 1
Echinococcus multilocularis tar DNA binding protein 0.0069 0.9598 0.9592
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.1149 0.071
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.7009 0.7175
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0072 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.7009 0.7293
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.9598 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.1995 0.1256
Toxoplasma gondii aldehyde dehydrogenase 0.0072 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.1995 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.1335 0.0723
Echinococcus multilocularis dna polymerase eta 0.0021 0.1149 0.1025
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.1995 0.5
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0845 0.5
Schistosoma mansoni tar DNA-binding protein 0.0069 0.9598 0.9578
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.1335 0.0535
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.7009 0.7175
Echinococcus granulosus GPCR family 2 0.0017 0.0473 0.034
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.1335 0.5
Schistosoma mansoni tar DNA-binding protein 0.0069 0.9598 0.9578
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.1995 0.1256
Echinococcus multilocularis dna polymerase kappa 0.0021 0.1149 0.1025
Echinococcus granulosus tar DNA binding protein 0.0069 0.9598 0.9592
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.1149 0.0524
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.6903 0.7182
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.1149 0.0332
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.1335 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.1995 0.0956
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.1995 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.1335 0.1214
Loa Loa (eye worm) hypothetical protein 0.0019 0.0845 0.0847
Loa Loa (eye worm) hypothetical protein 0.0032 0.3022 0.3123
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.1995 0.1256
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.1149 0.8605
Schistosoma mansoni lamin 0.0032 0.3022 0.2676
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.1149 0.8605
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.1335 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.6903 0.686
Mycobacterium ulcerans aldehyde dehydrogenase 0.0072 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.1995 0.2049
Loa Loa (eye worm) hypothetical protein 0.0015 0.0138 0.0107
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0473 0.034
Schistosoma mansoni hypothetical protein 0.0037 0.3984 0.3685
Mycobacterium ulcerans aldehyde dehydrogenase 0.0072 1 1
Mycobacterium ulcerans hypothetical protein 0.0026 0.1995 0.1256
Loa Loa (eye worm) hypothetical protein 0.0055 0.7009 0.7293
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.1149 0.8605
Onchocerca volvulus 0.0032 0.3022 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.9598 0.9578
Loa Loa (eye worm) intermediate filament protein 0.0032 0.3022 0.3123

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 0.001 M Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP in the presence of calcium (10 microM) and calmodulin (15 nM) ChEMBL. 2544722
IC50 (binding) > 0.001 M Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP in the presence of calcium (10 microM) and calmodulin (15 nM) ChEMBL. 2544722
IC50 (binding) = 96 uM Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cAMP for cAMP-PDE. ChEMBL. 2544722
IC50 (binding) = 96 uM Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cAMP for cAMP-PDE. ChEMBL. 2544722
IC50 (binding) = 174 uM Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE. ChEMBL. 2544722
IC50 (binding) = 174 uM Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE. ChEMBL. 2544722

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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