Detailed information for compound 949862

Basic information

Technical information
  • TDR Targets ID: 949862
  • Name: 1-(6-methoxynaphthalen-2-yl)propan-2-amine
  • MW: 215.291 | Formula: C14H17NO
  • H donors: 1 H acceptors: 0 LogP: 2.9 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)ccc(c2)CC(N)C
  • InChi: 1S/C14H17NO/c1-10(15)7-11-3-4-13-9-14(16-2)6-5-12(13)8-11/h3-6,8-10H,7,15H2,1-2H3
  • InChiKey: YYZOZFYDYBTLPQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(6-methoxy-2-naphthyl)propan-2-amine
  • [2-(6-methoxy-2-naphthyl)-1-methyl-ethyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Monoamine oxidase A Starlite/ChEMBL References
Rattus norvegicus Monoamine oxidase B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 531 aa 23.2 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 539 aa 22.3 %
Brugia malayi amine oxidase, flavin-containing family protein Monoamine oxidase B   520 aa 479 aa 21.7 %
Dictyostelium discoideum hypothetical protein Monoamine oxidase B   520 aa 538 aa 21.0 %
Dictyostelium discoideum amine oxidase Monoamine oxidase B   520 aa 489 aa 29.0 %
Onchocerca volvulus Mitochondrial fission process protein 1 homolog Monoamine oxidase B   520 aa 469 aa 22.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis mitogen activated protein kinase 3 0.0057 0.0018 0.0018
Entamoeba histolytica hypothetical protein, conserved 0.3558 1 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.3558 1 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0717 0.1901 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.0051 0 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0057 0.0018 0.0018
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.3558 1 1
Brugia malayi MAP kinase sur-1 0.0057 0.0018 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.0018 0.0018
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.3558 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0057 0.0018 0.0018
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0051 0 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0057 0.0018 0.0018
Trichomonas vaginalis conserved hypothetical protein 0.3558 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0057 0.0018 1
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.0018 0.0018
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0051 0 0.5
Onchocerca volvulus 0.0051 0 0.5
Entamoeba histolytica DNA repair and recombination protein, putative 0.3558 1 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0051 0 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0667 0.1757 1
Plasmodium vivax hypothetical protein, conserved 0.0051 0 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0051 0 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0057 0.0018 0.0018
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.3558 1 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0717 0.1901 1
Plasmodium vivax hypothetical protein, conserved 0.0051 0 0.5
Giardia lamblia Rrm3p helicase 0.3558 1 1
Echinococcus granulosus mitogen activated protein kinase 0.0057 0.0018 0.0018
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.3558 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0057 0.0018 0.0018
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.3558 1 1
Schistosoma mansoni hypothetical protein 0.3558 1 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.3558 1 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.3558 1 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0051 0 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0057 0.0018 0.0018
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0051 0 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.0018 0.0018
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0057 0.0018 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.18 uM Inhibition of MAOA in rat brain mitochondria ChEMBL. 19243954
Ki (binding) = 16.3 uM Inhibition of MAOB in rat brain mitochondria ChEMBL. 19243954

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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