Detailed information for compound 1804865

Basic information

Technical information
  • TDR Targets ID: 1804865
  • Name: N-(pyridin-3-ylmethyl)propan-2-amine
  • MW: 150.221 | Formula: C9H14N2
  • H donors: 1 H acceptors: 1 LogP: 1.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NCc1cccnc1)C
  • InChi: 1S/C9H14N2/c1-8(2)11-7-9-4-3-5-10-6-9/h3-6,8,11H,7H2,1-2H3
  • InChiKey: CRYXHQBSIQUCFG-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(3-pyridylmethyl)propan-2-amine
  • isopropyl-(3-pyridylmethyl)amine

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
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0 0.5
Schistosoma mansoni apoferritin-2 0.001 1 1
Onchocerca volvulus 0.0005 0 0.5
Mycobacterium ulcerans bacterioferritin BfrA 0.001 1 0.5
Brugia malayi Low-density lipoprotein receptor-related protein, putative 0.0005 0 0.5
Echinococcus granulosus ferritin 0.001 1 1
Onchocerca volvulus 0.0005 0 0.5
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0 0.5
Mycobacterium tuberculosis Bacterioferritin BfrB 0.001 1 0.5
Brugia malayi enteropeptidase precursor 0.0005 0 0.5
Schistosoma mansoni ferritin light chain 0.001 1 1
Loa Loa (eye worm) hypothetical protein 0.0005 0 0.5
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0005 0 0.5
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0 0.5
Schistosoma mansoni ferritin 0.001 1 1
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.001 1 0.5
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 1 0.5
Schistosoma mansoni ferritin 0.001 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0005 0 0.5
Schistosoma mansoni ferritin 0.001 1 1
Onchocerca volvulus Arrow homolog 0.0005 0 0.5
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.0005 0 0.5
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.0005 0 0.5
Schistosoma mansoni ferritin 0.001 1 1
Loa Loa (eye worm) hypothetical protein 0.0005 0 0.5
Schistosoma mansoni ferritin light chain 0.001 1 1
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0005 0 0.5
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0 0.5
Onchocerca volvulus 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0 0.5
Brugia malayi basement membrane proteoglycan precursor 0.0005 0 0.5
Onchocerca volvulus Terribly reduced optic lobes homolog 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0 0.5
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 1 0.5
Mycobacterium ulcerans bacterioferritin BfrB 0.001 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0 0.5
Onchocerca volvulus 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0 0.5
Onchocerca volvulus 0.0005 0 0.5
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0005 0 0.5
Echinococcus multilocularis expressed protein 0.001 1 1
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0 0.5
Brugia malayi CUB domain containing protein 0.0005 0 0.5
Schistosoma mansoni apoferritin-2 0.001 1 1
Echinococcus multilocularis ferritin 0.001 1 1
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0005 0 0.5
Loa Loa (eye worm) calcium binding EGF domain-containing protein 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0 0.5
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0005 0 0.5
Onchocerca volvulus 0.0005 0 0.5
Treponema pallidum bacterioferrin (TpF1) 0.001 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0 0.5
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0 0.5
Trichomonas vaginalis ferritin, putative 0.001 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.9 mM Inhibition of Musca domestica (house fly) acetylcholinesterase ChEMBL. No reference
Ki (binding) = 226 uM Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head membrane after 60 min by scintillation counting 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

No literature references available for this target.

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