Detailed information for compound 1520797

Basic information

Technical information
  • TDR Targets ID: 1520797
  • Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-(phenylmethy l)piperidine-4-carboxamide
  • MW: 324.42 | Formula: C19H24N4O
  • H donors: 1 H acceptors: 3 LogP: 2.72 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)c1nc(C)cc(n1)C)NCc1ccccc1
  • InChi: 1S/C19H24N4O/c1-14-12-15(2)22-19(21-14)23-10-8-17(9-11-23)18(24)20-13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H,20,24)
  • InChiKey: RCZNHSGISWOTDW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4,6-dimethyl-2-pyrimidinyl)-N-(phenylmethyl)-4-piperidinecarboxamide
  • N-(benzyl)-1-(4,6-dimethylpyrimidin-2-yl)isonipecotamide
  • MLS000122049
  • SMR000119498
  • Peakdale1_002505
  • ZINC00801884
  • 1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid benzylamide
  • BAS 06578526

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi Nuclear hormone receptor E75 0.0027 0.0068 0.0068
Echinococcus granulosus nuclear factor of activated T cells 5 0.0087 0.0973 0.4236
Brugia malayi hypothetical protein 0.0031 0.0118 0.0118
Brugia malayi hypothetical protein 0.0027 0.0068 0.0068
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0299 0.1072
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0027 0.0068 0.0298
Onchocerca volvulus Bile acid receptor homolog 0.0058 0.0532 0.6047
Schistosoma mansoni thyroid hormone receptor 0.0207 0.2787 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0118 0.0118
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.0532 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0058 0.0532 0.0532
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0027 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0081 0.0877 0.3145
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0058 0.0532 0.2316
Brugia malayi ecdysone receptor 0.0027 0.0068 0.0068
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0031 0.0118 0.0424
Brugia malayi MH2 domain containing protein 0.0141 0.1793 0.1793
Brugia malayi Steroid receptor seven-up type 2 0.0058 0.0532 0.0532
Onchocerca volvulus 0.0078 0.0835 1
Brugia malayi nuclear receptor RXR 0.0027 0.0068 0.0068
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0058 0.0532 0.191
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0068
Brugia malayi ecdysteroid receptor 0.0058 0.0532 0.0532
Brugia malayi orphan nuclear receptor NR2E1 0.0027 0.0068 0.0068
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0118 0.0118
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0087 0.0973 0.3492
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0058 0.0532 0.191
Brugia malayi nuclear hormone receptor 0.0058 0.0532 0.0532
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0149 0.1909 0.685
Echinococcus granulosus jun protein 0.0099 0.1158 0.5041
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Loa Loa (eye worm) nuclear hormone receptor 0.0027 0.0068 0.0068
Echinococcus granulosus thyroid hormone receptor alpha 0.0027 0.0068 0.0298
Brugia malayi photoreceptor-specific nuclear receptor 0.0058 0.0532 0.0532
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0058 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0068
Schistosoma mansoni nuclear receptor 0.0027 0.0068 0.0246
Echinococcus multilocularis thyroid hormone receptor alpha 0.0207 0.2787 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0027 0.0068 0.0246
Loa Loa (eye worm) steroid hormone receptor 0.0058 0.0532 0.0532
Entamoeba histolytica hypothetical protein 0.0042 0.0299 1
Schistosoma mansoni hypothetical protein 0.0042 0.0299 0.1072
Brugia malayi nuclear hormone receptor family member nhr-6 0.0027 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0682 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0068
Entamoeba histolytica hypothetical protein 0.0042 0.0299 1
Brugia malayi Nuclear hormone receptor-like 1 0.0058 0.0532 0.0532
Leishmania major DNA polymerase eta, putative 0.0023 0 0.5
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0027 0.0068 0.0246
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0027 0.0068 0.0246
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0058 0.0532 0.0532
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.0532 0.0532
Echinococcus multilocularis ecdysone induced protein 78C 0.0058 0.0532 0.191
Loa Loa (eye worm) MH2 domain-containing protein 0.0141 0.1793 0.1793
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0058 0.0532 0.0532
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0058 0.0532 0.2316
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0027 0.0068 0.0246
Schistosoma mansoni RAR-like nuclear receptor 0.0058 0.0532 0.191
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0068
Schistosoma mansoni retinoic acid receptor RXR 0.0174 0.2298 0.8245
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0118 0.0118
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0 0.5
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0144 0.1834 0.6581
Echinococcus multilocularis jun protein 0.0099 0.1158 0.4156
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0058 0.0532 0.191
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0299 0.13
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0031 0.0118 0.0424
Loa Loa (eye worm) hypothetical protein 0.0058 0.0532 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0058 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0068
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0068
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0058 0.0532 0.6047
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0058 0.0532 0.2316
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0031 0.0118 0.0118
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0058 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0031 0.0118 0.0118
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0058 0.0532 0.0532
Brugia malayi nuclear receptor NHR-67 0.0027 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0058 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0058 0.0532 0.0532
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.0027 0.0068 0.0298
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0099 0.1158 0.4156
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0058 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0058 0.0532 0.0532
Brugia malayi hypothetical protein 0.0031 0.0118 0.0118
Echinococcus multilocularis FTZ F1 alpha 0.0058 0.0532 0.191
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0027 0.0068 0.0246
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0058 0.0532 0.0532
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0058 0.0532 0.0532
Schistosoma mansoni steroid hormone receptor ad4bp 0.0058 0.0532 0.191
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0027 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0149 0.1909 0.685
Brugia malayi nuclear receptor NHR-88 0.0058 0.0532 0.0532
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0058 0.0532 0.2316
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni zinc finger protein 0.0027 0.0068 0.0246
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0058 0.0532 0.0532
Brugia malayi Nuclear hormone receptor E75 0.0027 0.0068 0.0068
Echinococcus multilocularis nuclear receptor nhr 48 0.0027 0.0068 0.0246
Brugia malayi bZIP transcription factor family protein 0.0099 0.1158 0.1158
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0096 0.1117 0.1117
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0058 0.0532 0.191
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0058 0.0532 0.191
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0058 0.0532 0.0532
Schistosoma mansoni nuclear receptor nhr-48 0.0027 0.0068 0.0246
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.0027 0.0068 0.0298
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.0068 0.0246
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0058 0.0532 0.191
Loa Loa (eye worm) hypothetical protein 0.0058 0.0532 0.0532
Giardia lamblia DINP protein human, muc B family 0.0023 0 0.5
Entamoeba histolytica hypothetical protein 0.0042 0.0299 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0118 0.0118
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0058 0.0532 0.191
Entamoeba histolytica hypothetical protein 0.0042 0.0299 1
Schistosoma mansoni nuclear hormone receptor 0.0027 0.0068 0.0246
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0118 0.0424
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0068
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0058 0.0532 0.0532
Loa Loa (eye worm) nuclear receptor NHR-67 0.0027 0.0068 0.0068
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0174 0.2298 1
Brugia malayi tailless protein 0.0027 0.0068 0.0068
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0099 0.1158 0.5041
Brugia malayi nuclear hormone receptor 0.0027 0.0068 0.0068
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0031 0.0118 0.0514
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0058 0.0532 0.2316
Brugia malayi hypothetical protein 0.0027 0.0068 0.0068
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0 0.5
Brugia malayi hypothetical protein 0.0078 0.0835 0.0835
Brugia malayi nuclear receptor RXR 0.0031 0.0118 0.0118
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0058 0.0532 0.191
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0058 0.0532 0.0532
Brugia malayi hypothetical protein 0.0042 0.0299 0.0299
Loa Loa (eye worm) DR-78 0.0027 0.0068 0.0068
Echinococcus granulosus ecdysone induced protein 78C 0.0058 0.0532 0.2316
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0058 0.0532 0.0532
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0058 0.0532 0.191
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0031 0.0118 0.0118
Brugia malayi steroid hormone receptor 0.0058 0.0532 0.0532
Onchocerca volvulus Protein ultraspiracle homolog 0.0058 0.0532 0.6047
Schistosoma mansoni nuclear hormone receptor 0.0027 0.0068 0.0246
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0058 0.0532 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0058 0.0532 0.0532
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0058 0.0532 0.191
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0058 0.0532 0.191
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.0068 0.0298
Onchocerca volvulus 0.0058 0.0532 0.6047
Schistosoma mansoni nuclear hormone receptor 0.0058 0.0532 0.191
Loa Loa (eye worm) transcription factor SMAD2 0.0141 0.1793 0.1793
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Brugia malayi conserved hypotetical protein 0.0027 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0068
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0299 0.1072
Schistosoma mansoni nuclear receptor 0.0027 0.0068 0.0246
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0058 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0058 0.0532 0.0532
Brugia malayi nuclear receptor NHR-88 0.0027 0.0068 0.0068
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0058 0.0532 0.191
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni coup transcription factor 0.0058 0.0532 0.191
Schistosoma mansoni jun-related protein 0.0081 0.0877 0.3145
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0058 0.0532 0.0532
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0058 0.0532 0.2316
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0058 0.0532 0.0532
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0058 0.0532 0.2316
Echinococcus granulosus nuclear receptor nhr 48 0.0027 0.0068 0.0298
Schistosoma mansoni thyroid hormone receptor 0.0207 0.2787 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0027 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0068
Trypanosoma brucei unspecified product 0.0023 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0149 0.1909 0.8308
Leishmania major DNA polymerase kappa, putative 0.0023 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) 14.7157 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) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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