Detailed information for compound 1275144

Basic information

Technical information
  • TDR Targets ID: 1275144
  • Name: 2-(2-methoxyphenyl)-N-(2-piperidin-1-ylethyl) acetamide
  • MW: 276.374 | Formula: C16H24N2O2
  • H donors: 1 H acceptors: 1 LogP: 1.99 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CC(=O)NCCN1CCCCC1
  • InChi: 1S/C16H24N2O2/c1-20-15-8-4-3-7-14(15)13-16(19)17-9-12-18-10-5-2-6-11-18/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,17,19)
  • InChiKey: QZFCSEJGFVYKNH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-methoxyphenyl)-N-[2-(1-piperidyl)ethyl]acetamide
  • 2-(2-methoxyphenyl)-N-(2-piperidinoethyl)acetamide
  • 2-(2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)ethanamide
  • IVK/0019104
  • 2-(2-methoxyphenyl)-N-[2-(1-piperidinyl)ethyl]acetamide
  • MLS001001088
  • SMR000499174

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.019 0.6674 0.6674
Echinococcus granulosus survival motor neuron protein 1 0.0277 1 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.019 0.6674 0.6674
Loa Loa (eye worm) hypothetical protein 0.019 0.6674 0.6674
Echinococcus multilocularis muscleblind protein 1 0.0175 0.6103 0.6103
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0123 0.006
Brugia malayi Muscleblind-like protein 0.0175 0.6103 0.6077
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4922 0.4922
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4922 0.4922
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0624 0.0624
Schistosoma mansoni intermediate filament proteins 0.0032 0.0624 0.3449
Echinococcus granulosus GPCR family 2 0.0018 0.0123 0.0123
Loa Loa (eye worm) hypothetical protein 0.019 0.6674 0.6674
Echinococcus multilocularis lamin 0.0032 0.0624 0.0624
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0123 0.0123
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0057 0.1576 0.1522
Loa Loa (eye worm) hypothetical protein 0.0175 0.6103 0.6103
Echinococcus multilocularis GPCR, family 2 0.0018 0.0123 0.0123
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1649 0.1595
Echinococcus multilocularis musashi 0.0032 0.0624 0.0624
Brugia malayi intermediate filament protein 0.0032 0.0624 0.0564
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0624 0.0624
Echinococcus multilocularis survival motor neuron protein 1 0.0277 1 1
Schistosoma mansoni lamin 0.0032 0.0624 0.3449
Loa Loa (eye worm) hypothetical protein 0.0277 1 1
Echinococcus multilocularis lamin dm0 0.0032 0.0624 0.0624
Schistosoma mansoni hypothetical protein 0.0057 0.1576 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0123 0.0123
Loa Loa (eye worm) hypothetical protein 0.0058 0.1649 0.1649
Onchocerca volvulus 0.0057 0.1576 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0123 0.006
Loa Loa (eye worm) hypothetical protein 0.004 0.0943 0.0943
Echinococcus granulosus lamin 0.0032 0.0624 0.0624
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1649 0.1595
Echinococcus granulosus intermediate filament protein 0.0032 0.0624 0.0624
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0624 0.0564
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0123 0.0123
Echinococcus granulosus muscleblind protein 0.0175 0.6103 0.6103
Schistosoma mansoni hypothetical protein 0.004 0.0943 0.5639
Loa Loa (eye worm) hypothetical protein 0.0031 0.0602 0.0602
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1649 0.1649
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0123 0.0123
Brugia malayi MH2 domain containing protein 0.0144 0.4922 0.4889
Loa Loa (eye worm) hypothetical protein 0.0032 0.0624 0.0624
Schistosoma mansoni survival motor neuron protein 0.0057 0.1576 1
Toxoplasma gondii hypothetical protein 0.019 0.6674 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.6103 0.6103
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0943 0.0884
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0123 0.0123
Echinococcus granulosus lamin dm0 0.0032 0.0624 0.0624
Echinococcus multilocularis muscleblind protein 0.0175 0.6103 0.6103
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0064 0.0064
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0123 0.0123
Schistosoma mansoni lamin 0.0032 0.0624 0.3449

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 3.6964 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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