Detailed information for compound 1282664

Basic information

Technical information
  • TDR Targets ID: 1282664
  • Name: 4-piperidin-1-yl-6-pyridin-3-yl-1,3,5-triazin -2-amine
  • MW: 256.306 | Formula: C13H16N6
  • H donors: 1 H acceptors: 4 LogP: 1.52 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(nc(n1)c1cccnc1)N1CCCCC1
  • InChi: 1S/C13H16N6/c14-12-16-11(10-5-4-6-15-9-10)17-13(18-12)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2,(H2,14,16,17,18)
  • InChiKey: KZZGFEWSUSXCLF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1-piperidyl)-6-(3-pyridyl)-1,3,5-triazin-2-amine
  • [4-piperidino-6-(3-pyridyl)-s-triazin-2-yl]amine
  • 30072-59-4
  • ZINC04198697
  • STOCK2S-83221
  • 2-Amino-4-piperidino-6-(3-pyridyl)triazine
  • 5-26-17-00387 (Beilstein Handbook Reference)
  • BRN 1081851
  • s-Triazine, 2-amino-4-piperidino-6-(3-pyridyl)-
  • MLS000038250
  • SMR000041172

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1429 0.4665 1
Echinococcus granulosus sterol regulatory element binding protein 0.1254 0.4088 0.4085
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0023 0.0018
Echinococcus multilocularis protein patched 0.1254 0.4088 0.4085
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0142 0.0136
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0046 0.0046
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.3047 1 1
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.3047 1 1
Plasmodium falciparum phd finger protein, putative 0.0028 0.0044 0.5
Onchocerca volvulus 0.0029 0.0046 0.0034
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0066 0.006
Loa Loa (eye worm) hypothetical protein 0.0068 0.0177 0.0169
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.007 0.007
Plasmodium vivax SET domain protein, putative 0.0029 0.0046 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0044 0.0037
Loa Loa (eye worm) hypothetical protein 0.1254 0.4088 0.4084
Brugia malayi CHE-14 protein 0.1254 0.4088 0.407
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0142 0.0136
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1429 0.4665 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.0256 0.025
Trichomonas vaginalis conserved hypothetical protein 0.1254 0.4088 0.8542
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.3047 1 0.5
Brugia malayi Bromodomain containing protein 0.0073 0.019 0.016
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0045 0.0101 0.0095
Brugia malayi Pre-SET motif family protein 0.0201 0.0615 0.0586
Loa Loa (eye worm) hypothetical protein 0.0039 0.0081 0.0074
Brugia malayi jmjC domain containing protein 0.0036 0.007 0.0039
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0023 0.0023
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0044 0.0044
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0064 0.0058
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.1254 0.4088 0.4084
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0046 0.0041
Loa Loa (eye worm) hypothetical protein 0.0045 0.0101 0.0093
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0006 0.0006
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.0332 0.0325
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0044 0.0037
Echinococcus granulosus Niemann Pick C1 protein 0.1254 0.4088 0.4085
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.3047 1 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0044 0.0039
Echinococcus multilocularis protein dispatched 1 0.1254 0.4088 0.4085
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1429 0.4665 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.0615 0.0608
Echinococcus multilocularis sterol regulatory element binding protein 0.1254 0.4088 0.4085
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.007 0.0064
Echinococcus multilocularis Niemann Pick C1 protein 0.1254 0.4088 0.4085
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.3047 1 1
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0017 0.0009
Loa Loa (eye worm) hypothetical protein 0.0041 0.0087 0.008
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0043 0.0037
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0006 0.0006
Brugia malayi Bromodomain containing protein 0.0037 0.0073 0.0043
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0081 0.0075
Loa Loa (eye worm) hypothetical protein 0.3047 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.007 0.007
Echinococcus granulosus Protein patched homolog 1 0.1254 0.4088 0.4085
Brugia malayi jmjC domain containing protein 0.0092 0.0256 0.0226
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0143 0.0136
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0045 0.0101 0.0101
Schistosoma mansoni hypothetical protein 0.0028 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0037 0.0074 0.0066
Schistosoma mansoni patched 1 0.1254 0.4088 0.4088
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.007 0.0062
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0193 0.0193
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.3047 1 1
Schistosoma mansoni hypothetical protein 0.002 0.0017 0.0017
Schistosoma mansoni niemann-pick C1 (NPC1) 0.1254 0.4088 0.4088
Brugia malayi PHD-finger family protein 0.0028 0.0044 0.0014
Schistosoma mansoni bromodomain containing protein 0.0061 0.0153 0.0153
Brugia malayi MH2 domain containing protein 0.0115 0.0332 0.0302
Echinococcus multilocularis peregrin 0.003 0.0052 0.0046
Echinococcus granulosus zinc finger protein 0.0019 0.0014 0.0008
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0081 0.0075
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.3047 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.0332 0.0325
Echinococcus granulosus peregrin 0.003 0.0052 0.0046
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0046 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0066 0.006
Brugia malayi Bromodomain containing protein 0.003 0.0052 0.0021
Onchocerca volvulus 0.0229 0.0707 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0111 0.0103
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0023 0.0018
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0044 0.0039
Schistosoma mansoni zinc finger protein 0.0019 0.0014 0.0014
Brugia malayi Pre-SET motif family protein 0.0029 0.0046 0.0016
Echinococcus granulosus histone lysine methyltransferase setb 0.0045 0.0101 0.0095
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0046 0.0046
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0045 0.0101 0.0101
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.3047 1 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1429 0.4665 1
Echinococcus multilocularis zinc finger protein 0.0019 0.0014 0.0008
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.0256 0.025

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 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) 11.6891 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) 22.3872 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
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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