Detailed information for compound 1548696

Basic information

Technical information
  • TDR Targets ID: 1548696
  • Name: 1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyraz ol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
  • MW: 356.419 | Formula: C19H24N4O3
  • H donors: 1 H acceptors: 3 LogP: 0.34 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CN1CC(CCC1=O)C(=O)NCc1cnn(c1)C
  • InChi: 1S/C19H24N4O3/c1-22-11-15(10-21-22)9-20-19(25)16-6-7-18(24)23(13-16)12-14-4-3-5-17(8-14)26-2/h3-5,8,10-11,16H,6-7,9,12-13H2,1-2H3,(H,20,25)
  • InChiKey: GVAAWJDJIQNVJN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(3-methoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-piperidine-3-carboxamide
  • 1-[(3-methoxyphenyl)methyl]-N-[(1-methyl-4-pyrazolyl)methyl]-6-oxo-3-piperidinecarboxamide
  • 6-keto-1-(3-methoxybenzyl)-N-[(1-methylpyrazol-4-yl)methyl]nipecotamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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
Echinococcus granulosus lysosomal alpha glucosidase 0.0185 0.0966 0.9757
Toxoplasma gondii leucyl aminopeptidase LAP 0.012 0.0543 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.0668 0.3757
Mycobacterium ulcerans DNA-directed RNA polymerase subunit beta 0.158 1 1
Mycobacterium leprae DNA-DIRECTED RNA POLYMERASE (BETA CHAIN) RPOB (TRANSCRIPTASE BETA CHAIN) (RNA POLYMERASE BETA SUBUNIT) 0.158 1 1
Loa Loa (eye worm) glutaminase 2 0.0311 0.1778 1
Onchocerca volvulus Huntingtin homolog 0.0139 0.0668 0.4128
Onchocerca volvulus 0.0286 0.1619 1
Schistosoma mansoni hypothetical protein 0.0189 0.099 0.5565
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0033 0.0601
Schistosoma mansoni alpha-glucosidase 0.0159 0.0799 0.4491
Brugia malayi glutaminase DH11.1 0.0311 0.1778 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0033 0.0184
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1619 0.9086
Onchocerca volvulus Huntingtin homolog 0.0139 0.0668 0.4128
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.012 0.0543 1
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.012 0.0543 1
Brugia malayi hypothetical protein 0.0139 0.0668 0.3757
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.012 0.0543 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0033 0.5
Plasmodium falciparum DNA-directed RNA polymerase subunit beta, putative 0.158 1 1
Treponema pallidum DNA-directed RNA polymerase subunit beta 0.158 1 0.5
Mycobacterium ulcerans glutaminase 0.0311 0.1778 0.1306
Echinococcus granulosus geminin 0.0189 0.099 1
Trichomonas vaginalis glutaminase, putative 0.0311 0.1778 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.0668 0.3757
Brugia malayi Glycosyl hydrolases family 31 protein 0.0185 0.0966 0.543
Echinococcus multilocularis lysosomal alpha glucosidase 0.0185 0.0966 0.9757
Mycobacterium tuberculosis DNA-directed RNA polymerase (beta chain) RpoB (transcriptase beta chain) (RNA polymerase beta subunit) 0.158 1 1
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.012 0.0543 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0033 0.033
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0033 0.0184
Onchocerca volvulus 0.0107 0.046 0.2842
Schistosoma mansoni glutaminase 0.0311 0.1778 1
Brugia malayi Pre-SET motif family protein 0.0251 0.1394 0.7838
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0033 0.033
Echinococcus multilocularis leucine aminopeptidase protein 0.012 0.0543 0.5489
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0185 0.0966 0.543
Schistosoma mansoni alpha glucosidase 0.0041 0.0033 0.0184
Schistosoma mansoni hypothetical protein 0.0189 0.099 0.5565
Echinococcus multilocularis geminin 0.0189 0.099 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0033 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0185 0.0966 0.9757
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.012 0.0543 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1394 0.7838
Wolbachia endosymbiont of Brugia malayi DNA-directed RNA polymerase subunit beta/beta' 0.158 1 1
Echinococcus granulosus leucine aminopeptidase protein 0.012 0.0543 0.5489
Schistosoma mansoni alpha-glucosidase 0.0159 0.0799 0.4491
Loa Loa (eye worm) glutaminase 0.0311 0.1778 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 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) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 20.5878 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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