Detailed information for compound 1376942

Basic information

Technical information
  • TDR Targets ID: 1376942
  • Name: 3,4,5-trimethoxy-N-(3-oxo-3-piperidin-1-ylpro pyl)benzamide
  • MW: 350.409 | Formula: C18H26N2O5
  • H donors: 1 H acceptors: 2 LogP: 1.39 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)C(=O)NCCC(=O)N1CCCCC1
  • InChi: 1S/C18H26N2O5/c1-23-14-11-13(12-15(24-2)17(14)25-3)18(22)19-8-7-16(21)20-9-5-4-6-10-20/h11-12H,4-10H2,1-3H3,(H,19,22)
  • InChiKey: YXIOHQUCTKZKAE-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3,4,5-trimethoxy-N-[3-oxo-3-(1-piperidyl)propyl]benzamide
  • N-(3-keto-3-piperidino-propyl)-3,4,5-trimethoxy-benzamide
  • 3,4,5-trimethoxy-N-(3-oxo-3-piperidin-1-yl-propyl)benzamide
  • EU-0029555

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0073 0.0182 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3958 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) G-protein coupled receptor 0.0075 0.0205 0.6807
Onchocerca volvulus 0.0075 0.0205 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0085 0.0341 1
Chlamydia trachomatis peptide deformylase 0.068 0.8037 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0075 0.0205 0.6807
Onchocerca volvulus Neuropeptide F receptor homolog 0.0075 0.0205 0.5
Treponema pallidum polypeptide deformylase (def) 0.068 0.8037 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.068 0.8037 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Onchocerca volvulus 0.0075 0.0205 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0075 0.0205 0.5
Plasmodium falciparum peptide deformylase 0.068 0.8037 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Leishmania major polypeptide deformylase-like protein, putative 0.0259 0.2596 0.4522
Onchocerca volvulus 0.0075 0.0205 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Onchocerca volvulus 0.0075 0.0205 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0078 0.0248 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Trypanosoma brucei Peptide deformylase 2 0.0259 0.2596 0.4522
Plasmodium vivax peptide deformylase, putative 0.068 0.8037 0.5
Onchocerca volvulus 0.0075 0.0205 0.5
Toxoplasma gondii hypothetical protein 0.068 0.8037 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0075 0.0205 0.6807
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0075 0.0205 0.6807
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.3958 1
Onchocerca volvulus 0.0075 0.0205 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1472 0.3643
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.068 0.8037 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0259 0.2596 0.6518
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) TYRA-2 protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0078 0.0248 0.0043
Mycobacterium ulcerans peptide deformylase 0.068 0.8037 1
Onchocerca volvulus 0.0075 0.0205 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0073 0.0182 0.5
Onchocerca volvulus 0.0075 0.0205 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Trypanosoma cruzi Peptide deformylase 2, putative 0.0259 0.2596 0.6518
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3958 1
Loa Loa (eye worm) G-protein coupled receptor 0.0075 0.0205 0.6807
Onchocerca volvulus 0.0075 0.0205 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.3958 1
Onchocerca volvulus 0.0075 0.0205 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0078 0.0248 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Trypanosoma brucei Polypeptide deformylase 1 0.0259 0.2596 0.4522
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Schistosoma mansoni voltage-gated potassium channel 0.0085 0.0341 1
Loa Loa (eye worm) neuropeptide F receptor 0.0075 0.0205 0.6807
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0078 0.0248 0.0048
Loa Loa (eye worm) neuropeptide F receptor 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Onchocerca volvulus 0.0075 0.0205 0.5
Onchocerca volvulus 0.0075 0.0205 0.5
Onchocerca volvulus 0.0075 0.0205 0.5
Onchocerca volvulus 0.0075 0.0205 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0259 0.2596 0.6518
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Echinococcus multilocularis conserved hypothetical protein 0.0757 0.9033 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Onchocerca volvulus 0.0075 0.0205 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Onchocerca volvulus 0.0075 0.0205 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0259 0.2596 0.6518
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0075 0.0205 0.6807
Onchocerca volvulus 0.0075 0.0205 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.068 0.8037 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807
Loa Loa (eye worm) hypothetical protein 0.0075 0.0205 0.6807

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 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) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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
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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