Detailed information for compound 1547883

Basic information

Technical information
  • TDR Targets ID: 1547883
  • Name: 1-[(4-chlorophenyl)methyl]-N-[3-(4-methoxyphe nyl)propyl]-6-oxopiperidine-3-carboxamide
  • MW: 414.925 | Formula: C23H27ClN2O3
  • H donors: 1 H acceptors: 2 LogP: 3.48 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CCCNC(=O)C1CCC(=O)N(C1)Cc1ccc(cc1)Cl
  • InChi: 1S/C23H27ClN2O3/c1-29-21-11-6-17(7-12-21)3-2-14-25-23(28)19-8-13-22(27)26(16-19)15-18-4-9-20(24)10-5-18/h4-7,9-12,19H,2-3,8,13-16H2,1H3,(H,25,28)
  • InChiKey: COMNGMGBNUAHKQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(4-chlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]-6-oxo-piperidine-3-carboxamide
  • 1-[(4-chlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]-6-oxo-3-piperidinecarboxamide
  • 1-(4-chlorobenzyl)-6-keto-N-[3-(4-methoxyphenyl)propyl]nipecotamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis musashi 0.0032 0.1592 0.1351
Echinococcus granulosus transient receptor potential cation channel 0.0163 0.9307 0.9571
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0719 0.0696
Brugia malayi intermediate filament protein 0.0032 0.1592 0.1571
Loa Loa (eye worm) transcription factor SMAD2 0.0142 0.8037 0.8032
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.213 0.2111
Echinococcus granulosus GPCR family 2 0.0019 0.0831 0.0586
Loa Loa (eye worm) hypothetical protein 0.0032 0.1592 0.1571
Echinococcus multilocularis GPCR, family 2 0.0019 0.0831 0.0568
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0831 0.0586
Echinococcus granulosus lamin 0.0032 0.1592 0.1392
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.2737 1
Schistosoma mansoni intermediate filament proteins 0.0032 0.1592 0.1351
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.9711 1
Loa Loa (eye worm) Smad1 0.001 0.0279 0.0254
Loa Loa (eye worm) hypothetical protein 0.0041 0.213 0.2111
Onchocerca volvulus 0.0032 0.1592 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0142 0.8037 0.8032
Schistosoma mansoni hypothetical protein 0.0019 0.0831 0.0568
Onchocerca volvulus 0.0032 0.1592 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.2737 0.5
Echinococcus multilocularis ankyrin repeat protein 0.016 0.9115 0.909
Schistosoma mansoni hypothetical protein 0.0041 0.213 0.1905
Echinococcus granulosus lamin dm0 0.0032 0.1592 0.1392
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0719 0.0696
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0619 0.0361
Brugia malayi MH2 domain containing protein 0.001 0.0279 0.0254
Loa Loa (eye worm) hypothetical protein 0.0019 0.0831 0.0808
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0619 0.035
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.2737 0.5
Brugia malayi MH2 domain containing protein 0.0142 0.8037 0.8032
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 1 1
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.2485 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.2485 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.1558 0.1536
Brugia malayi MH1 domain containing protein 0.001 0.0279 0.0254
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0831 0.0568
Schistosoma mansoni lamin 0.0032 0.1592 0.1351
Echinococcus granulosus ankyrin repeat protein 0.016 0.9115 0.9368
Schistosoma mansoni hypothetical protein 0.0019 0.0831 0.0568
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.325 0.3233
Echinococcus multilocularis lamin 0.0032 0.1592 0.1351
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.2737 1
Brugia malayi Smad1 0.001 0.0279 0.0254
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.2737 0.2606
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.2485 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0831 0.0568
Schistosoma mansoni hypothetical protein 0.0019 0.0831 0.0568
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.325 0.3233
Brugia malayi MH1 domain containing protein 0.001 0.0279 0.0254
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.016 0.9115 0.909
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.1592 0.1571
Brugia malayi MH2 domain containing protein 0.001 0.0279 0.0254
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.2737 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0831 0.0586
Echinococcus granulosus intermediate filament protein 0.0032 0.1592 0.1392
Loa Loa (eye worm) hypothetical protein 0.0015 0.0585 0.0561
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0831 0.0808
Echinococcus multilocularis transient receptor potential cation channel 0.0163 0.9307 0.9287
Loa Loa (eye worm) acetyltransferase 0.0175 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0831 0.0808
Loa Loa (eye worm) hypothetical protein 0.0015 0.0585 0.0561
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0279 0.0254
Loa Loa (eye worm) hypothetical protein 0.006 0.325 0.3233
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0831 0.0568
Schistosoma mansoni lamin 0.0032 0.1592 0.1351
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0279 0.0254
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.1592 0.1571
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.325 0.3233
Loa Loa (eye worm) intermediate filament protein 0.0032 0.1592 0.1571
Echinococcus multilocularis lamin dm0 0.0032 0.1592 0.1351
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0831 0.0808
Loa Loa (eye worm) hypothetical protein 0.0015 0.0619 0.0595

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) 30 uM PubChem BioAssay. MLPCN SirT-5 Measured in Biochemical System Using Imaging - 7044-01_Inhibitor_Dose_CherryPick_Activity_Set5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 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
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 18.526 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) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 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

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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