Detailed information for compound 1363159

Basic information

Technical information
  • TDR Targets ID: 1363159
  • Name: 1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N-( oxolan-2-ylmethyl)piperidine-4-carboxamide
  • MW: 405.574 | Formula: C23H39N3O3
  • H donors: 1 H acceptors: 2 LogP: 2.62 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)C1CCN(CC1)C(=O)CC1CCCC1)NCC1CCCO1
  • InChi: 1S/C23H39N3O3/c27-22(16-18-4-1-2-5-18)26-13-9-20(10-14-26)25-11-7-19(8-12-25)23(28)24-17-21-6-3-15-29-21/h18-21H,1-17H2,(H,24,28)
  • InChiKey: ZUUGAWRCEFCIRP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[1-(2-cyclopentylacetyl)-4-piperidyl]-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
  • 1-[1-(2-cyclopentyl-1-oxoethyl)-4-piperidinyl]-N-(2-tetrahydrofuranylmethyl)-4-piperidinecarboxamide
  • 1-[1-(2-cyclopentylacetyl)-4-piperidyl]-N-(tetrahydrofurfuryl)isonipecotamide
  • 1-[1-(2-cyclopentylethanoyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
  • 1'-(cyclopentylacetyl)-N-(tetrahydrofuran-2-ylmethyl)-1,4'-bipiperidine-4-carboxamide
  • MLS000733644
  • SMR000318059

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
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
Loa Loa (eye worm) helix-hairpin-helix domain-containing protein family protein 0.0244 0.5643 1
Echinococcus multilocularis DNA excision repair protein ERCC 1 0.0244 0.5643 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.4969 0.7655
Trichomonas vaginalis excision repair cross-complementing 1 ercc1, putative 0.0244 0.5643 1
Brugia malayi ERCC4 domain containing protein 0.0173 0.2766 1
Schistosoma mansoni excision repair cross-complementing 1 ercc1 0.0244 0.5643 0.3977
Entamoeba histolytica DNA excision repair protein, putative 0.0244 0.5643 1
Echinococcus granulosus DNA excision repair protein ERCC 1 0.0244 0.5643 1
Trypanosoma brucei DNA repair protein, putative 0.0105 0 0.5
Toxoplasma gondii DNA repair protein rad10 subfamily protein 0.0244 0.5643 1
Plasmodium falciparum ERCC1 nucleotide excision repair protein, putative 0.0244 0.5643 1
Plasmodium vivax ERCC1 nucleotide excision repair protein, putative 0.0244 0.5643 1
Trypanosoma cruzi DNA repair protein, putative 0.0105 0 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.4969 0.7655
Trypanosoma cruzi DNA repair protein, putative 0.0105 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 8.2753 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

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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