Detailed information for compound 1406538

Basic information

Technical information
  • TDR Targets ID: 1406538
  • Name: 1-(2-phenyl-6-propylpyrimidin-4-yl)piperidine -4-carboxamide
  • MW: 324.42 | Formula: C19H24N4O
  • H donors: 1 H acceptors: 3 LogP: 2.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1cc(nc(n1)c1ccccc1)N1CCC(CC1)C(=O)N
  • InChi: 1S/C19H24N4O/c1-2-6-16-13-17(23-11-9-14(10-12-23)18(20)24)22-19(21-16)15-7-4-3-5-8-15/h3-5,7-8,13-14H,2,6,9-12H2,1H3,(H2,20,24)
  • InChiKey: JUPNSSPHDMCSGV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-phenyl-6-propyl-pyrimidin-4-yl)piperidine-4-carboxamide
  • 1-(2-phenyl-6-propyl-4-pyrimidinyl)-4-piperidinecarboxamide
  • 1-(2-phenyl-6-propyl-pyrimidin-4-yl)isonipecotamide
  • MLS000708626
  • SMR000289193
  • ASN 09858094
  • ZINC01350968
  • 1-(2-Phenyl-6-propyl-pyrimidin-4-yl)-piperidine-4-carboxylic acid amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.004 0.1197 0.0779
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0168 0.902 0.902
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0056 0.2183 0.202
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0056 0.2183 0.2183
Toxoplasma gondii histone deacetylase SIR2 0.0094 0.4488 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0168 0.902 0.902
Mycobacterium ulcerans NAD-dependent deacetylase 0.0094 0.4488 1
Plasmodium falciparum pyruvate kinase 0.004 0.1197 0.2667
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.754 0.7423
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0094 0.4488 0.4206
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0056 0.2183 0.112
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0168 0.902 1
Schistosoma mansoni pyruvate kinase 0.004 0.1197 0.1197
Schistosoma mansoni chromatin regulatory protein sir2 0.0056 0.2183 0.2183
Giardia lamblia Hypothetical protein 0.0168 0.902 0.902
Brugia malayi transcriptional regulator, Sir2 family protein 0.0056 0.2183 0.112
Loa Loa (eye worm) pyruvate kinase 0.004 0.1197 0.0779
Schistosoma mansoni pyruvate kinase 0.004 0.1197 0.1197
Entamoeba histolytica hypothetical protein, conserved 0.0056 0.2183 0.202
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0056 0.2183 0.112
Echinococcus multilocularis chromatin regulatory protein sir2 0.0168 0.902 0.902
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.1197 0.5
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0168 0.902 1
Toxoplasma gondii histone deacetylase SIR2-like 0.0056 0.2183 0.4865
Echinococcus granulosus pyruvate kinase 0.004 0.1197 0.1197
Plasmodium vivax hypothetical protein, conserved 0.0056 0.2183 0.4865
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.1197 0.5
Loa Loa (eye worm) pyruvate kinase 0.004 0.1197 0.0779
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0094 0.4488 1
Echinococcus multilocularis pyruvate kinase 0.0032 0.0679 0.0679
Schistosoma mansoni chromatin regulatory protein sir2 0.0094 0.4488 0.4488
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0056 0.2183 0.2183
Chlamydia trachomatis pyruvate kinase 0.004 0.1197 0.5
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0094 0.4488 0.3738
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0168 0.902 1
Brugia malayi MH2 domain containing protein 0.0144 0.754 0.7205
Mycobacterium ulcerans Sir2-like regulatory protein 0.0056 0.2183 0.2997
Loa Loa (eye worm) sirtuin 4 0.0056 0.2183 0.1812
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0056 0.2183 0.2183
Giardia lamblia Transcriptional regulator, Sir2 family 0.0094 0.4488 0.4488
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0094 0.4488 0.471
Giardia lamblia Pyruvate kinase 0.004 0.1197 0.1197
Leishmania major sir2-family protein-like protein 0.0056 0.2183 0.126
Loa Loa (eye worm) transcriptional regulator 0.0056 0.2183 0.1812
Plasmodium vivax pyruvate kinase, putative 0.004 0.1197 0.2667
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0168 0.902 1
Echinococcus multilocularis pyruvate kinase 0.004 0.1197 0.1197
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0168 0.902 0.8887
Loa Loa (eye worm) transcriptional regulator 0.0056 0.2183 0.1812
Schistosoma mansoni chromatin regulatory protein sir2 0.0168 0.902 0.902
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0094 0.4488 1
Giardia lamblia Sirtuin type 2 0.0056 0.2183 0.2183
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.1197 0.5
Schistosoma mansoni chromatin regulatory protein sir2 0.0168 0.902 0.902
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0094 0.4488 0.4206
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0094 0.4488 0.3738
Echinococcus granulosus pyruvate kinase 0.004 0.1197 0.1197
Echinococcus granulosus chromatin regulatory protein sir2 0.0168 0.902 0.902
Loa Loa (eye worm) hypothetical protein 0.0128 0.6555 0.6391
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0168 0.902 1
Brugia malayi transcriptional regulator, Sir2 family protein 0.0056 0.2183 0.112
Plasmodium vivax NAD-dependent deacetylase, putative 0.0094 0.4488 1
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0094 0.4488 0.4206
Loa Loa (eye worm) transcriptional regulator 0.0168 0.902 0.8973
Echinococcus multilocularis pyruvate kinase 0.004 0.1197 0.1197
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.1197 0.2667
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.754 0.7423
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0094 0.4488 0.3738
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.1197 1
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0056 0.2183 0.4865
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0094 0.4488 0.4206
Schistosoma mansoni chromatin regulatory protein sir2 0.0056 0.2183 0.2183
Loa Loa (eye worm) pyruvate kinase 0.004 0.1197 0.0779
Brugia malayi transcriptional regulator, Sir2 family protein 0.0168 0.902 0.8887
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0168 0.902 0.8887
Schistosoma mansoni chromatin regulatory protein sir2 0.0168 0.902 0.902
Leishmania major silent information regulator 2, putative 0.0168 0.902 1
Trypanosoma brucei SIR2-like protein 4, putative 0.0056 0.2183 0.126
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0056 0.2183 0.2183

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 5.2213 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) 5.2213 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 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
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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