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 synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens ataxin 2 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
Onchocerca volvulus 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
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
Brugia malayi Cathepsin L-like cysteine proteinase 0.0036 0.3182 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0036 0.3182 0.3182
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0963 0.0963
Toxoplasma gondii cathepsin CPL 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.3182 0.3182
Trypanosoma cruzi cysteine peptidase, putative 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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Onchocerca volvulus Cathepsin F homolog 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 1
Onchocerca volvulus Cathepsin L homolog 0.0054 1 1
Plasmodium vivax vivapain-2 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0054 1 1
Onchocerca volvulus 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0054 1 1
Onchocerca volvulus 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.3182 0.2455
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Brugia malayi hypothetical protein 0.003 0.0963 0.0963
Brugia malayi Cathepsin L-like precursor 0.0036 0.3182 0.3182
Echinococcus multilocularis cysteine protease 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Echinococcus multilocularis cysteine protease 0.0054 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0963 0.0963
Brugia malayi Cathepsin L-like precursor 0.0036 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.3182 0.3182
Echinococcus multilocularis cathepsin L cysteine protease 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.3182 0.2455
Echinococcus granulosus cathepsin L cysteine proteinase 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
Echinococcus granulosus cathepsin l1 0.0036 0.3182 0.3182
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
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0036 0.3182 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, putative 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 0.0054 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0963 0.0963
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0054 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0054 1 1
Loa Loa (eye worm) fibroinase 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 1
Leishmania major cysteine peptidase A (CPA) 0.0054 1 1
Brugia malayi cathepsin L-like precursor 0.0036 0.3182 0.3182
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0054 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0054 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 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
Echinococcus granulosus cathepsin l1 0.0054 1 1
Loa Loa (eye worm) ctsf protein 0.0054 1 1
Plasmodium vivax vivapain-2 0.0054 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0054 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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, papain-like cysteine peptidase 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Loa Loa (eye worm) cysteine protease 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0963 0.0963
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
Leishmania major cathepsin L-like protease 0.0054 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0054 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0054 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0963 0.0963
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
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 0.0036 0.3182 0.2455
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0036 0.3182 0.3182
Entamoeba histolytica cysteine protease, putative 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 0.0054 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 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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