Detailed information for compound 1348493

Basic information

Technical information
  • TDR Targets ID: 1348493
  • Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-pent oxyphenyl)oxamide
  • MW: 361.478 | Formula: C20H31N3O3
  • H donors: 2 H acceptors: 2 LogP: 3.53 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCOc1ccc(cc1)NC(=O)C(=O)NCC1CCCN1CC
  • InChi: 1S/C20H31N3O3/c1-3-5-6-14-26-18-11-9-16(10-12-18)22-20(25)19(24)21-15-17-8-7-13-23(17)4-2/h9-12,17H,3-8,13-15H2,1-2H3,(H,21,24)(H,22,25)
  • InChiKey: CFPPNQFXZOSOJE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(1-ethyl-2-pyrrolidinyl)methyl]-N'-(4-pentoxyphenyl)oxamide
  • N'-(4-amoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
  • N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-pentoxyphenyl)ethanediamide
  • MLS000662117
  • N-[(1-ethyl-2-pyrrolidinyl)methyl]-N'-[4-(pentyloxy)phenyl]ethanediamide
  • SMR000294025

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens like-glycosyltransferase Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus Glycosyltransferase protein LARGE1 Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus multilocularis Glycosyltransferase protein LARGE1 Get druggable targets OG5_130765 All targets in OG5_130765
Brugia malayi Glycosyl transferase family 8 protein Get druggable targets OG5_130765 All targets in OG5_130765
Schistosoma japonicum ko:K09668 glycosyltransferase-like protein LARGE, putative Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus multilocularis glycosyltransferase protein LARGE2 Get druggable targets OG5_130765 All targets in OG5_130765
Schistosoma mansoni glycosyltransferase-related Get druggable targets OG5_130765 All targets in OG5_130765
Loa Loa (eye worm) glycosyl transferase family 8 protein Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus granulosus Glycosyl transferase family 8 Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus multilocularis Glycosyl transferase, family 8 Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus multilocularis glycosyltransferase protein LARGE2 Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus granulosus glycosyltransferase protein LARGE2 Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus multilocularis conserved hypothetical protein Get druggable targets OG5_130765 All targets in OG5_130765
Echinococcus multilocularis glycosyltransferase protein LARGE2 Get druggable targets OG5_130765 All targets in OG5_130765
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Glycosyl transferase family 8 protein 0.0087 0.279 1
Echinococcus granulosus Glycosyl transferase family 8 0.0087 0.279 0.1596
Loa Loa (eye worm) glycosyl transferase family 8 protein 0.0087 0.279 1
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1165 0.4176
Loa Loa (eye worm) hypothetical protein 0.006 0.1165 0.4176
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0084 0.2622 0.1399
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1165 0.4176
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0084 0.2622 0.1399
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1165 0.4176
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0084 0.2622 0.1399
Schistosoma mansoni glycosyltransferase-related 0.0087 0.279 0.279
Echinococcus multilocularis Glycosyl transferase, family 8 0.0087 0.279 0.1596
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus multilocularis geminin 0.0205 1 1
Echinococcus granulosus glycosyltransferase protein LARGE2 0.0084 0.2622 0.1399

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 8.54 uM PubChem BioAssay. Dose response confirmation of small molecule activators of alpha dystroglycan glycosylation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 9.285 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (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

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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