Detailed information for compound 27112

Basic information

Technical information
  • TDR Targets ID: 27112
  • Name: 3-methylpiperidine
  • MW: 99.1741 | Formula: C6H13N
  • H donors: 1 H acceptors: 0 LogP: 1.08 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCCNC1
  • InChi: 1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3
  • InChiKey: JEGMWWXJUXDNJN-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-pipecoline
  • 53152-98-0
  • 68850_FLUKA
  • 3-Pipecoline (8CI)
  • M73001_ALDRICH
  • NSC 66494
  • beta-Methylpiperidine
  • beta-Pipecoline
  • EINECS 210-953-6
  • .beta.-Methylpiperidine
  • .beta.-Pipecoline
  • NSC66494

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
Loa Loa (eye worm) hypothetical protein 0.1205 1 1
Toxoplasma gondii peptidase family M13 protein 0.1205 1 0.5
Loa Loa (eye worm) peptidase family M13 containing protein 0.0891 0.5353 0.5353
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.1205 1 1
Loa Loa (eye worm) hypothetical protein 0.0912 0.5663 0.5663
Loa Loa (eye worm) hypothetical protein 0.0912 0.5663 0.5663
Loa Loa (eye worm) peptidase family M13 containing protein 0.0891 0.5353 0.5353
Onchocerca volvulus 0.0825 0.4384 1
Loa Loa (eye worm) hypothetical protein 0.0891 0.5353 0.5353
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0848 0.4714 0.0589
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0848 0.4714 0.4008
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0672 0.2123 0.2123
Loa Loa (eye worm) hypothetical protein 0.0912 0.5663 0.5663
Loa Loa (eye worm) hypothetical protein 0.0597 0.1016 0.1016
Loa Loa (eye worm) hypothetical protein 0.1205 1 1
Loa Loa (eye worm) hypothetical protein 0.0891 0.5353 0.5353
Loa Loa (eye worm) peptidase family M1 containing protein 0.0659 0.1927 0.1927
Loa Loa (eye worm) hypothetical protein 0.0912 0.5663 0.5663
Loa Loa (eye worm) hypothetical protein 0.0912 0.5663 0.5663
Loa Loa (eye worm) hypothetical protein 0.0695 0.2457 0.2457
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.1205 1 1
Mycobacterium ulcerans zinc metalloprotease 0.1205 1 0.5
Loa Loa (eye worm) hypothetical protein 0.1205 1 1
Mycobacterium leprae probable zinc metalloprotease 0.1205 1 0.5
Echinococcus multilocularis endothelin converting enzyme 1 0.1205 1 1
Loa Loa (eye worm) hypothetical protein 0.0912 0.5663 0.5663
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.1205 1 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0848 0.4714 0.4714
Brugia malayi Peptidase family M1 containing protein 0.0825 0.4384 0.287
Echinococcus granulosus endothelin converting enzyme 1 0.1205 1 1
Loa Loa (eye worm) hypothetical protein 0.0891 0.5353 0.5353
Echinococcus granulosus leukotriene A 4 hydrolase 0.0848 0.4714 0.0589
Loa Loa (eye worm) hypothetical protein 0.0891 0.5353 0.5353

Activities

Activity type Activity value Assay description Source Reference
Enhancement (binding) = 7 % Maximum percent of enhancement of binding. ChEMBL. 4032427
Enhancement (binding) = 7 % Maximum percent of enhancement of binding. ChEMBL. 4032427
Inhibition (binding) = 109 % Maximum percent of inhibition of binding was determined ChEMBL. 4032427
Inhibition (binding) = 109 % Maximum percent of inhibition of binding was determined ChEMBL. 4032427
Kd (binding) < 0 M Compound was evaluated for ability to enhance the binding of (+/-)-[3H]-nicotine to the rat brain P2 fraction at binding site 1; 10e-10-10e-5 ChEMBL. 4032427
Kd (binding) = 0.00089 M Ability to enhance the binding of (+/-)-[3H]-nicotine to the rat brain P2 fraction at binding site 2 ChEMBL. 4032427
Kd (binding) = 0.00089 M Ability to enhance the binding of (+/-)-[3H]-nicotine to the rat brain P2 fraction at binding site 2 ChEMBL. 4032427
Mean enhancement of binding (binding) = 5.2 Compounds was evaluate for their ability to enhance (+/-)-[3H]-nicotine binding at a dose range 10 E -10 - 10 E -4 M was reported ChEMBL. 4032427
Potency (functional) 38.0877 uM PubChem BioAssay: Tox21. qHTS assay for small molecule activators of the heat shock response signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 60.3649 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 60.3649 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 60.3649 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 60.3649 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 67.1274 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.