Detailed information for compound 1587830

Basic information

Technical information
  • TDR Targets ID: 1587830
  • Name: 4-methyl-2,6-di(piperidin-1-yl)pyrimidine
  • MW: 260.378 | Formula: C15H24N4
  • H donors: 0 H acceptors: 2 LogP: 3.21 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(nc(n1)N1CCCCC1)N1CCCCC1
  • InChi: 1S/C15H24N4/c1-13-12-14(18-8-4-2-5-9-18)17-15(16-13)19-10-6-3-7-11-19/h12H,2-11H2,1H3
  • InChiKey: AZLJOZRXGSUVFN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methyl-2,6-bis(1-piperidyl)pyrimidine
  • 4-methyl-2,6-dipiperidino-pyrimidine
  • 4-methyl-2,6-di-1-piperidinylpyrimidine
  • MLS000662103
  • SMR000292748
  • STOCK3S-32331
  • ZINC00470274

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0555 0.6443 0.4578
Loa Loa (eye worm) TATA binding protein associated factor 0.0301 0.3441 0.3441
Brugia malayi Peptidase family M1 containing protein 0.0301 0.3441 0.3441
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0856 1 1
Entamoeba histolytica aminopeptidase, putative 0.0856 1 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0555 0.6443 0.6443
Loa Loa (eye worm) hypothetical protein 0.0301 0.3441 0.3441
Toxoplasma gondii aminopeptidase n, putative 0.0301 0.3441 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1588 0.1588
Trypanosoma cruzi aminopeptidase, putative 0.0856 1 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0856 1 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0301 0.3441 0.3441
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1588 0.1588
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0537 0.0537
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0537 0.0537
Toxoplasma gondii aminopeptidase N protein 0.0301 0.3441 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0856 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0856 1 1
Loa Loa (eye worm) hypothetical protein 0.0555 0.6443 0.6443
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0856 1 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0856 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0301 0.3441 0.3441
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0301 0.3441 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0537 0.0537
Onchocerca volvulus 0.0856 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0537 0.0537
Loa Loa (eye worm) peptidase family M1 containing protein 0.0301 0.3441 0.3441
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0537 0.0537
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0537 0.0537
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0856 1 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0856 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0537 0.0537
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0537 0.0537
Echinococcus granulosus leukotriene A 4 hydrolase 0.0301 0.3441 0.3441
Loa Loa (eye worm) hypothetical protein 0.0301 0.3441 0.3441
Schistosoma mansoni aminopeptidase A (M01 family) 0.0301 0.3441 0.3441
Brugia malayi Peptidase family M1 containing protein 0.0856 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0856 1 1
Loa Loa (eye worm) hypothetical protein 0.0301 0.3441 0.3441
Trypanosoma brucei Aminopeptidase M1, putative 0.0856 1 1
Brugia malayi hypothetical protein 0.0856 1 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0301 0.3441 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.1588 0.1588
Brugia malayi TATA binding protein associated factor 0.0301 0.3441 0.3441
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0301 0.3441 0.3441
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0856 1 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0856 1 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0856 1 1
Onchocerca volvulus 0.0856 1 1
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0555 0.6443 0.6443
Loa Loa (eye worm) hypothetical protein 0.0555 0.6443 0.6443
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0301 0.3441 0.3441
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0856 1 1
Loa Loa (eye worm) hypothetical protein 0.0555 0.6443 0.6443
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0856 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0856 1 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0301 0.3441 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0537 0.0537
Brugia malayi hypothetical protein 0.0301 0.3441 0.3441
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0301 0.3441 0.5
Toxoplasma gondii aminopeptidase N, putative 0.0301 0.3441 0.5
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0856 1 1
Echinococcus granulosus aminopeptidase N 0.0856 1 1
Echinococcus multilocularis aminopeptidase N 0.0856 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0301 0.3441 0.3441
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0856 1 1
Loa Loa (eye worm) aminopeptidase N 0.0856 1 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0856 1 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0856 1 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0856 1 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0301 0.3441 0.3441
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0856 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 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) 9.285 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

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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