Detailed information for compound 1423150

Basic information

Technical information
  • TDR Targets ID: 1423150
  • Name: 5-oxo-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phe nyl]-N-prop-2-enylpyrrolidine-3-carboxamide
  • MW: 371.43 | Formula: C20H25N3O4
  • H donors: 1 H acceptors: 3 LogP: 0.9 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNC(=O)C1CN(C(=O)C1)c1ccc(cc1)OCC(=O)N1CCCC1
  • InChi: 1S/C20H25N3O4/c1-2-9-21-20(26)15-12-18(24)23(13-15)16-5-7-17(8-6-16)27-14-19(25)22-10-3-4-11-22/h2,5-8,15H,1,3-4,9-14H2,(H,21,26)
  • InChiKey: FGVWDZMIDSVVBB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-allyl-5-oxo-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]pyrrolidine-3-carboxamide
  • N-allyl-5-oxo-1-[4-(2-oxo-2-1-pyrrolidinylethoxy)phenyl]-3-pyrrolidinecarboxamide
  • N-allyl-5-keto-1-[4-(2-keto-2-pyrrolidin-1-yl-ethoxy)phenyl]pyrrolidine-3-carboxamide
  • 5-oxo-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]-N-prop-2-enyl-pyrrolidine-3-carboxamide
  • TimTec1_007508
  • BAS 06672375
  • IDI1_033162

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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 ATP-dependent Clp protease proteolytic subunit 0.0086 0.1315 0.2936
Echinococcus multilocularis tar DNA binding protein 0.0195 0.3277 0.7644
Brugia malayi hypothetical protein 0.002 0.0108 0.0029
Schistosoma mansoni tar DNA-binding protein 0.0195 0.3277 0.4849
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.008 0.0186
Echinococcus granulosus GPCR family 2 0.0179 0.2995 0.6988
Schistosoma mansoni hypothetical protein 0.0388 0.6758 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0179 0.2995 0.6988
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0381 0.0888
Brugia malayi RNA binding protein 0.0195 0.3277 0.3223
Brugia malayi Pre-SET motif family protein 0.0251 0.4293 0.4247
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.008 0.0186
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0567 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0303 0.0531
Echinococcus granulosus tar DNA binding protein 0.0195 0.3277 0.7644
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0164 0.2725 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0405 0.0772
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0405 0.0944
Toxoplasma gondii hypothetical protein 0.0086 0.1315 0.2936
Brugia malayi latrophilin 2 splice variant baaae 0.0388 0.6758 0.6732
Loa Loa (eye worm) hypothetical protein 0.0567 1 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.2995 0.2939
Onchocerca volvulus 0.0286 0.4921 1
Schistosoma mansoni tar DNA-binding protein 0.0195 0.3277 0.4849
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0251 0.4287 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0251 0.4287 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0251 0.4287 1
Schistosoma mansoni hypothetical protein 0.0179 0.2995 0.4433
Schistosoma mansoni hypothetical protein 0.0179 0.2995 0.4433
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.008 0.0118
Trichomonas vaginalis set domain proteins, putative 0.0286 0.4921 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0251 0.4287 1
Schistosoma mansoni hypothetical protein 0.0179 0.2995 0.4433
Schistosoma mansoni peptidase Clp (S14 family) 0.0251 0.4287 0.6343
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0179 0.2995 0.2939
Echinococcus multilocularis GPCR, family 2 0.0179 0.2995 0.6988
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0405 0.0599
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0303 1
Schistosoma mansoni tar DNA-binding protein 0.0195 0.3277 0.4849
Loa Loa (eye worm) latrophilin receptor protein 2 0.0179 0.2995 0.2939
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0303 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0194 0.3254 0.6309
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0251 0.4287 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.008 0.0186
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0405 0.0599
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.008 0.0186
Loa Loa (eye worm) hypothetical protein 0.0251 0.4287 0.4241
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0303 0.0531
Schistosoma mansoni tar DNA-binding protein 0.0195 0.3277 0.4849
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0251 0.4287 0.5
Brugia malayi Probable ClpP-like protease 0.0251 0.4287 0.4241
Schistosoma mansoni hypothetical protein 0.0179 0.2995 0.4433
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0251 0.4287 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0179 0.2995 0.6988
Plasmodium vivax SET domain protein, putative 0.0036 0.0405 0.0772
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0251 0.4287 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0405 0.0944
Schistosoma mansoni tar DNA-binding protein 0.0195 0.3277 0.4849
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0251 0.4287 1
Brugia malayi hypothetical protein 0.003 0.0303 0.0225
Loa Loa (eye worm) hypothetical protein 0.0194 0.3254 0.32
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.4293 0.4247
Loa Loa (eye worm) hypothetical protein 0.0036 0.0405 0.0327
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0179 0.2995 0.6988
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0303 1
Brugia malayi TAR-binding protein 0.0195 0.3277 0.3223
Brugia malayi Calcitonin receptor-like protein seb-1 0.0567 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0195 0.3277 0.3223
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0164 0.2725 0.4744
Loa Loa (eye worm) hypothetical protein 0.0388 0.6758 0.6732
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0303 0.0531
Brugia malayi N-terminal motif family protein 0.0194 0.3254 0.32
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0164 0.2725 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0086 0.1315 0.2936
Echinococcus granulosus peptidase Clp S14 family 0.0164 0.2725 0.6357
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0251 0.4287 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0405 0.0944
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0251 0.4287 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0251 0.4287 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0303 0.0531
Loa Loa (eye worm) TAR-binding protein 0.0195 0.3277 0.3223
Brugia malayi Pre-SET motif family protein 0.0036 0.0405 0.0327
Loa Loa (eye worm) RNA binding protein 0.0195 0.3277 0.3223
Echinococcus multilocularis peptidase Clp (S14 family) 0.0164 0.2725 0.6357
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.008 0.0186
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0251 0.4287 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.008 0.0186
Loa Loa (eye worm) hypothetical protein 0.003 0.0303 0.0225
Leishmania major hypothetical protein, conserved 0.003 0.0303 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0195 0.3277 0.3223
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0179 0.2995 0.6988
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0405 0.0599
Brugia malayi Latrophilin receptor protein 2 0.0179 0.2995 0.2939
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0405 0.0599

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1585 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) 1.9953 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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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