Detailed information for compound 1367156

Basic information

Technical information
  • TDR Targets ID: 1367156
  • Name: 1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-ylo xyphenyl)piperidine-3-carboxamide
  • MW: 401.501 | Formula: C25H27N3O2
  • H donors: 1 H acceptors: 2 LogP: 3.91 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)CN1CCCC(C1)C(=O)Nc1ccccc1Oc1cccnc1
  • InChi: 1S/C25H27N3O2/c1-19-7-4-8-20(15-19)17-28-14-6-9-21(18-28)25(29)27-23-11-2-3-12-24(23)30-22-10-5-13-26-16-22/h2-5,7-8,10-13,15-16,21H,6,9,14,17-18H2,1H3,(H,27,29)
  • InChiKey: MBFNULUCGSJHGU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(3-methylphenyl)methyl]-N-[2-(3-pyridyloxy)phenyl]piperidine-3-carboxamide
  • 1-[(3-methylphenyl)methyl]-N-[2-(3-pyridyloxy)phenyl]-3-piperidinecarboxamide
  • 1-(3-methylbenzyl)-N-[2-(3-pyridyloxy)phenyl]nipecotamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A 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) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1254 0.0961
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0257 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.2823 0.2823
Loa Loa (eye worm) hypothetical protein 0.0074 0.6116 0.5906
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.6464 0.6346
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1254 0.1704
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0324 0.0324
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1254 0.0781
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.492 0.4646
Echinococcus multilocularis cpg binding protein 0.0037 0.2823 0.2582
Loa Loa (eye worm) hypothetical protein 0.0117 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.492 0.4646
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.3223 0.616
Schistosoma mansoni cpg binding protein 0.0035 0.2647 0.2647
Schistosoma mansoni transient receptor potential channel 4 0.0117 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.5411 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0513 0.0195
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.2647 0.2249
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1254 0.0961
Schistosoma mansoni transient receptor potential channel 0.0078 0.6464 0.6464
Loa Loa (eye worm) hypothetical protein 0.004 0.3093 0.2719
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.6464 0.6346
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.492 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Brugia malayi Transient-receptor-potential like protein 0.0044 0.3441 0.6652
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.5
Brugia malayi CXXC zinc finger family protein 0.0035 0.2647 0.4856
Schistosoma mansoni transient receptor potential channel 0.0078 0.6464 0.6464
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.5
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.6464 0.6346
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.3441 0.3221
Schistosoma mansoni cpg binding protein 0.0037 0.2823 0.2823
Echinococcus granulosus GPCR family 2 0.0019 0.1254 0.0961
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1254 0.1704
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1254 0.0961
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0257 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.3441 0.3086
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.6111 0.6111
Schistosoma mansoni transient receptor potential channel 0.0117 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0041 0.3223 0.2857
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1254 0.0961
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 1 1
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.9652 0.964
Schistosoma mansoni hypothetical protein 0.0019 0.1254 0.1254
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.3441 0.3221
Loa Loa (eye worm) hypothetical protein 0.0019 0.1254 0.0781
Echinococcus granulosus cpg binding protein 0.0037 0.2823 0.2582
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.6464 0.6346
Schistosoma mansoni hypothetical protein 0.0019 0.1254 0.1254
Trichomonas vaginalis helicase, putative 0.0008 0.0257 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0257 0.5
Echinococcus multilocularis GPCR, family 2 0.0019 0.1254 0.0961
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0513 0.0195
Schistosoma mansoni hypothetical protein 0.0041 0.3223 0.3223
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0257 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.492 1
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.9652 0.964
Onchocerca volvulus 0.0035 0.2647 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.1254 0.1254

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 4.216 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256] ChEMBL. No reference
Potency (functional) 9.285 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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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