Detailed information for compound 1388450

Basic information

Technical information
  • TDR Targets ID: 1388450
  • Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxy phenyl)methyl]-5-oxopyrrolidine-3-carboxamide
  • MW: 440.532 | Formula: C25H32N2O5
  • H donors: 1 H acceptors: 2 LogP: 2.81 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(CCNC(=O)C2CC(=O)N(C2)Cc2ccc(cc2)OC)ccc1OCC
  • InChi: 1S/C25H32N2O5/c1-4-31-22-11-8-18(14-23(22)32-5-2)12-13-26-25(29)20-15-24(28)27(17-20)16-19-6-9-21(30-3)10-7-19/h6-11,14,20H,4-5,12-13,15-17H2,1-3H3,(H,26,29)
  • InChiKey: PVWPGOSVNAUUSZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
  • N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxamide
  • N-[2-(3,4-diethoxyphenyl)ethyl]-5-keto-1-(4-methoxybenzyl)pyrrolidine-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.3182 0.3182
Leishmania major cathepsin L-like protease 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Echinococcus multilocularis cysteine protease 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0036 0.3182 0.3182
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0963 0.0963
Brugia malayi Cathepsin L-like cysteine proteinase 0.0036 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0963 0.0963
Loa Loa (eye worm) hypothetical protein 0.0036 0.3182 0.2455
Echinococcus granulosus cathepsin l1 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0054 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0963 0.0963
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Echinococcus multilocularis cysteine protease 0.0054 1 1
Brugia malayi hypothetical protein 0.003 0.0963 0.0963
Onchocerca volvulus Cathepsin F homolog 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Loa Loa (eye worm) cysteine protease 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0036 0.3182 0.3182
Leishmania major cysteine peptidase A (CPA) 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Toxoplasma gondii cathepsin CPL 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0963 0.0963
Loa Loa (eye worm) hypothetical protein 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 1 1
Plasmodium vivax vivapain-2 0.0054 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0054 1 1
Loa Loa (eye worm) ctsf protein 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 1 1
Onchocerca volvulus Cathepsin L homolog 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0054 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0054 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0963 0.0963
Trypanosoma cruzi cysteine peptidase, putative 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0963 0.0963
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 1
Plasmodium vivax vivapain-2 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Echinococcus granulosus cathepsin l1 0.0036 0.3182 0.3182
Onchocerca volvulus 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0036 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0054 1 1
Brugia malayi cathepsin L-like precursor 0.0036 0.3182 0.3182
Brugia malayi Cathepsin L-like precursor 0.0036 0.3182 0.3182
Onchocerca volvulus Cathepsin L homolog 0.0054 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0054 1 1
Entamoeba histolytica cysteine protease, putative 0.0054 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.3182 0.2455
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 1 1
Loa Loa (eye worm) fibroinase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0036 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.3182 0.2455
Leishmania major cathepsin L-like protease 0.0054 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5012 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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