Detailed information for compound 374700

Basic information

Technical information
  • TDR Targets ID: 374700
  • Name: N-[[3-(aminomethyl)phenyl]methyl]propanamide hydrochloride
  • MW: 228.718 | Formula: C11H17ClN2O
  • H donors: 2 H acceptors: 1 LogP: 1.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)NCc1cccc(c1)CN.Cl
  • InChi: 1S/C11H16N2O.ClH/c1-2-11(14)13-8-10-5-3-4-9(6-10)7-12;/h3-6H,2,7-8,12H2,1H3,(H,13,14);1H
  • InChiKey: YLQMUBXRTSVJJE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-(aminomethyl)benzyl]propionamide hydrochloride

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
Schistosoma mansoni ap endonuclease 0.002 0.0562 0.0562
Toxoplasma gondii exonuclease III APE 0.002 0.0562 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.3565 0.3565
Echinococcus granulosus nuclear factor of activated T cells 5 0.0078 0.4313 0.4313
Schistosoma mansoni ap endonuclease 0.002 0.0562 0.0562
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0562 0.5
Echinococcus granulosus netrin receptor unc 5 0.0015 0.0259 0.0259
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.3565 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0562 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0562 0.0562
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0562 1
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0015 0.0259 0.0725
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0562 0.5
Brugia malayi Uncoordinated protein 44 0.0015 0.0259 0.0725
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0562 0.5
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.0259 0.0259
Echinococcus multilocularis netrin receptor unc 5 0.0015 0.0259 0.0259
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0562 0.5
Loa Loa (eye worm) carboxylesterase 0.0066 0.3565 1
Brugia malayi Carboxylesterase family protein 0.0066 0.3565 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0267 0.0749
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0562 0.0562
Schistosoma mansoni hypothetical protein 0.0166 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0562 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0259 0.0725
Loa Loa (eye worm) hypothetical protein 0.0066 0.3565 1
Echinococcus multilocularis geminin 0.0166 1 1
Schistosoma mansoni hypothetical protein 0.0015 0.0259 0.0259
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0562 0.5
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0562 1
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.0259 0.0259
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.0259 0.0725
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0562 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0562 0.5
Echinococcus multilocularis Ankyrin 0.0015 0.0267 0.0267
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0562 0.1575
Brugia malayi Carboxylesterase family protein 0.0066 0.3565 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0562 0.5
Echinococcus granulosus acetylcholinesterase 0.0066 0.3565 0.3565
Loa Loa (eye worm) hypothetical protein 0.0066 0.3565 1
Onchocerca volvulus Netrin receptor homolog 0.0015 0.0259 1
Schistosoma mansoni hypothetical protein 0.0166 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0562 0.5
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.0259 0.0259
Schistosoma mansoni netrin receptor unc5 0.0015 0.0259 0.0259
Echinococcus granulosus acetylcholinesterase 0.0066 0.3565 0.3565
Echinococcus granulosus carboxylesterase 5A 0.0066 0.3565 0.3565
Echinococcus granulosus death domain containing protein 0.0015 0.0259 0.0259
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0078 0.4313 0.4313
Brugia malayi Death domain containing protein 0.0015 0.0259 0.0725
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0562 0.5
Brugia malayi Protein kinase domain containing protein 0.0015 0.0259 0.0725
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.3565 0.3565
Echinococcus granulosus Ankyrin 0.0015 0.0267 0.0267
Echinococcus multilocularis acetylcholinesterase 0.0066 0.3565 0.3565
Echinococcus multilocularis acetylcholinesterase 0.0066 0.3565 0.3565
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0562 0.1575

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 4 % Activity of human SSAO measured as hydrogen peroxide production at 1 mM relative to benzylamine oxidation ChEMBL. 17034126
Activity (functional) = 4 % Activity of human SSAO measured as hydrogen peroxide production at 1 mM relative to benzylamine oxidation ChEMBL. 17034126
Activity (functional) = 27 % Activity of mouse SSAO measured as hydrogen peroxide production at 100 uM relative to benzylamine oxidation ChEMBL. 17034126
Activity (functional) = 27 % Activity of mouse SSAO measured as hydrogen peroxide production at 100 uM relative to benzylamine oxidation ChEMBL. 17034126

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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