Detailed information for compound 1356370

Basic information

Technical information
  • TDR Targets ID: 1356370
  • Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[4-(pheny lmethyl)piperidin-1-yl]methyl]benzamide
  • MW: 472.618 | Formula: C30H36N2O3
  • H donors: 1 H acceptors: 1 LogP: 5.63 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)CCNC(=O)c1ccc(cc1)CN1CCC(CC1)Cc1ccccc1
  • InChi: 1S/C30H36N2O3/c1-34-28-13-10-24(21-29(28)35-2)14-17-31-30(33)27-11-8-26(9-12-27)22-32-18-15-25(16-19-32)20-23-6-4-3-5-7-23/h3-13,21,25H,14-20,22H2,1-2H3,(H,31,33)
  • InChiKey: BFFBUVJTRFJVGD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[4-(phenylmethyl)-1-piperidyl]methyl]benzamide
  • N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[4-(phenylmethyl)-1-piperidinyl]methyl]benzamide
  • 4-[[4-(benzyl)-1-piperidyl]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
  • SMR000269114
  • Oprea1_238064
  • 4-[(4-benzyl-1-piperidinyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
  • MLS000681442

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
Schistosoma mansoni aryl hydrocarbon receptor 0.005 0.1288 0.2546
Trichomonas vaginalis beta-galactosidase, putative 0.0162 0.5452 1
Echinococcus granulosus lamin dm0 0.0027 0.0471 0.0312
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0164 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0164 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0471 0.0471
Brugia malayi intermediate filament protein 0.0027 0.0471 0.0471
Schistosoma mansoni survival motor neuron protein 0.0058 0.1607 0.3269
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0164 0.0164
Mycobacterium ulcerans putative regulatory protein 0.0037 0.0812 1
Trichomonas vaginalis conserved hypothetical protein 0.0162 0.5452 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0471 0.0471
Brugia malayi manba-prov protein 0.028 0.9786 0.9786
Schistosoma mansoni lamin 0.0027 0.0471 0.0696
Echinococcus multilocularis lamin dm0 0.0027 0.0471 0.0312
Echinococcus granulosus single minded 2 0.0037 0.0812 0.0658
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0164 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0453 0.0453
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.4196 0.4099
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0164 0.0164
Brugia malayi PAS domain containing protein 0.005 0.1288 0.1288
Loa Loa (eye worm) hypothetical protein 0.0027 0.0471 0.0471
Trichomonas vaginalis beta-mannosidase, putative 0.0117 0.379 0.6857
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0164 0.5
Echinococcus granulosus lamin 0.0027 0.0471 0.0312
Schistosoma mansoni thyroid hormone receptor 0.0139 0.4577 1
Schistosoma mansoni hypothetical protein 0.0128 0.4196 0.9138
Onchocerca volvulus 0.0037 0.0812 0.2997
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0164 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1607 0.1607
Echinococcus granulosus beta mannosidase 0.0117 0.379 0.3687
Schistosoma mansoni hypothetical protein 0.0058 0.1607 0.3269
Trichomonas vaginalis glycoside hydrolase, putative 0.0162 0.5452 1
Loa Loa (eye worm) manba-prov protein 0.0117 0.379 0.379
Loa Loa (eye worm) beta-glucuronidase 0.0162 0.5452 0.5452
Schistosoma mansoni thyroid hormone receptor 0.0139 0.4577 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0164 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0471 0.0312
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0164 0.5
Schistosoma mansoni intermediate filament proteins 0.0027 0.0471 0.0696
Brugia malayi hypothetical protein 0.0166 0.5601 0.5601
Echinococcus multilocularis lamin 0.0027 0.0471 0.0312
Schistosoma mansoni beta-mannosidase 0.0117 0.379 0.8218
Echinococcus multilocularis thyroid hormone receptor alpha 0.0139 0.4577 0.4486
Loa Loa (eye worm) hypoxia-induced factor 1 0.0154 0.5125 0.5125
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0164 0.5
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0471 0.0471
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0164 0.5
Brugia malayi Beta-glucuronidase precursor 0.0162 0.5452 0.5452
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.4196 0.4099
Loa Loa (eye worm) hypothetical protein 0.0166 0.5601 0.5601
Brugia malayi bHLH-PAS transcription factor 0.0037 0.0812 0.0812
Echinococcus multilocularis transfer RNA-Lys 0.0037 0.0812 0.0658
Echinococcus multilocularis musashi 0.0027 0.0471 0.0312
Brugia malayi hypoxia-induced factor 1 0.0154 0.5125 0.5125
Echinococcus multilocularis beta mannosidase 0.0117 0.379 0.3687
Onchocerca volvulus 0.0058 0.1607 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0164 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0164 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0164 0.5
Schistosoma mansoni single-minded 0.005 0.1288 0.2546
Schistosoma mansoni lamin 0.0027 0.0471 0.0696

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5858 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 Assay for Enhancers of SMN2 Splice Variant 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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 28.1838 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
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 199.5262 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (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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