Detailed information for compound 1029603

Basic information

Technical information
  • TDR Targets ID: 1029603
  • Name: 4-(aminomethyl)-N-ethylpyridin-3-amine dihydr ochloride
  • MW: 224.131 | Formula: C8H15Cl2N3
  • H donors: 2 H acceptors: 1 LogP: 2.21 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNc1cnccc1CN.Cl.Cl
  • InChi: 1S/C8H13N3.2ClH/c1-2-11-8-6-10-4-3-7(8)5-9;;/h3-4,6,11H,2,5,9H2,1H3;2*1H
  • InChiKey: XGTDVUIFVUXUQZ-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-(aminomethyl)-N-ethyl-pyridin-3-amine dihydrochloride
  • 4-(aminomethyl)-N-ethyl-3-pyridinamine dihydrochloride
  • [4-(aminomethyl)-3-pyridyl]-ethyl-amine dihydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens amine oxidase, copper containing 1 Starlite/ChEMBL References
Pisum sativum Amine oxidase Starlite/ChEMBL References
Homo sapiens amine oxidase, copper containing 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127171 All targets in OG5_127171
Candida albicans one of two likely peroxisomal copper amine oxidase genes Get druggable targets OG5_127171 All targets in OG5_127171
Candida albicans one of two likely copper amine oxidase genes Get druggable targets OG5_127171 All targets in OG5_127171
Schistosoma mansoni copper/topaquinone oxidase Get druggable targets OG5_127171 All targets in OG5_127171
Cryptosporidium parvum extracellular protein with a signal peptide sequence, MAM domain and a Cu amine oxidase domain Get druggable targets OG5_127171 All targets in OG5_127171
Candida albicans one of two likely peroxisomal copper amine oxidase genes Get druggable targets OG5_127171 All targets in OG5_127171
Schistosoma japonicum ko:K00276 copper amine oxidase [EC1.4.3.6], putative Get druggable targets OG5_127171 All targets in OG5_127171
Cryptosporidium hominis amiloride binding protein 1 Get druggable targets OG5_127171 All targets in OG5_127171
Echinococcus granulosus amiloride sensitive amine oxidase Get druggable targets OG5_127171 All targets in OG5_127171
Echinococcus multilocularis amiloride sensitive amine oxidase Get druggable targets OG5_127171 All targets in OG5_127171
Toxoplasma gondii hypothetical protein Get druggable targets OG5_127171 All targets in OG5_127171
Neospora caninum hypothetical protein Get druggable targets OG5_127171 All targets in OG5_127171
Candida albicans one of two likely copper amine oxidase genes Get druggable targets OG5_127171 All targets in OG5_127171
Schistosoma japonicum IPR000269,Copper amine oxidase,domain-containing Get druggable targets OG5_127171 All targets in OG5_127171

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
Schistosoma mansoni tar DNA-binding protein 0.0391 0.3981 0.187
Schistosoma mansoni microtubule-associated protein tau 0.0746 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0391 0.3981 1
Schistosoma mansoni tar DNA-binding protein 0.0391 0.3981 0.187
Brugia malayi RNA binding protein 0.0391 0.3981 1
Echinococcus multilocularis microtubule associated protein 2 0.0746 1 1
Loa Loa (eye worm) RNA binding protein 0.0391 0.3981 1
Brugia malayi TAR-binding protein 0.0391 0.3981 1
Toxoplasma gondii hypothetical protein 0.0156 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0391 0.3981 0.187
Echinococcus granulosus tumor protein p63 0.036 0.3452 0.1154
Schistosoma mansoni tar DNA-binding protein 0.0391 0.3981 0.187
Echinococcus multilocularis tumor protein p63 0.036 0.3452 0.1154
Schistosoma mansoni tar DNA-binding protein 0.0391 0.3981 0.187
Loa Loa (eye worm) TAR-binding protein 0.0391 0.3981 1
Echinococcus granulosus tar DNA binding protein 0.0391 0.3981 0.187
Echinococcus multilocularis tar DNA binding protein 0.0391 0.3981 0.187
Brugia malayi RNA recognition motif domain containing protein 0.0391 0.3981 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0000005 M Inhibition of putrescine binding to against Diamine oxidase of porcine kidney ChEMBL. 15689151
IC50 (binding) = 0.000002 M Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum ChEMBL. 15689151
IC50 (binding) = 0.0000093 M Inhibition of putrescine binding to Pea seedling amine oxidase ChEMBL. 15689151
IC50 (binding) = 0.000087 M Inhibition of beta-phenylethylamine binding to Hansenula polymorpha amine oxidase ChEMBL. 15689151
IC50 (binding) > 0.00017 M Inhibitory concentration for rat liver Monoamine oxidase B using beta-phenylethylamine ChEMBL. 15689151
IC50 (binding) = 0.0003 M Inhibitory concentration for rat liver Monoamine oxidase A using 5-hydroxytryptamine ChEMBL. 15689151

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.

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