Detailed information for compound 2138393

Basic information

Technical information
  • TDR Targets ID: 2138393
  • Name: 2-(1H-indol-3-yl)-N-(naphthalen-1-ylmethyl)et hanamine
  • MW: 300.163 | Formula: C21H20N2
  • H donors: 2 H acceptors: 0 LogP: 4.62 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 0
  • SMILES: N(Cc1cccc2c1cccc2)CCc1c[nH]c2c1cccc2
  • InChi: InChI=1S/C21H20N2/c1-2-9-19-16(6-1)7-5-8-17(19)14-22-13-12-18-15-23-21-11-4-3-10-20(18)21/h1-11,15,22-23H,12-14H2
  • InChiKey: QQVNTWMFLPUYMF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(1H-indol-3-yl)-N-(1-naphthylmethyl)ethanamine
  • 2-(1H-indol-3-yl)ethyl-(1-naphthylmethyl)amine
  • ChemDiv3_003886
  • IDI1_021796
  • EU-0080088
  • AG-690/13701806

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) ryanodine receptor 0.0851 0.3286 0.543
Echinococcus granulosus mitogen activated protein kinase 0.0226 0.0347 0.0436
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0263 0.0519 0.0519
Echinococcus granulosus mitogen activated protein kinase 3 0.0226 0.0347 0.0436
Giardia lamblia Kinase, CMGC MAPK 0.0226 0.0347 0.5
Loa Loa (eye worm) hypothetical protein 0.0277 0.0588 0.0971
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0589 0.5
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0821 0.3146 1
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0277 0.0588 0.0588
Echinococcus multilocularis mitogen activated protein kinase 0.0226 0.0347 0.0436
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0696 0.2559 0.2559
Trichomonas vaginalis CMGC family protein kinase 0.0226 0.0347 1
Brugia malayi MAP kinase sur-1 0.0226 0.0347 0.0347
Loa Loa (eye worm) hypothetical protein 0.0433 0.1322 0.2184
Schistosoma mansoni serine/threonine protein kinase 0.0226 0.0347 0.0347
Entamoeba histolytica MIR domain protein 0.0153 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0226 0.0347 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0226 0.0347 0.5
Brugia malayi cation channel family protein 0.0974 0.3864 0.3864
Leishmania major hypothetical protein, conserved 0.0558 0.1909 1
Loa Loa (eye worm) ryanodine receptor 0.0537 0.1812 0.2994
Echinococcus multilocularis ryanodine receptor 44f 0.1844 0.796 1
Trichomonas vaginalis CMGC family protein kinase 0.0226 0.0347 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0226 0.0347 0.0436
Schistosoma mansoni ryanodine receptor related 0.2277 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0226 0.0347 1
Onchocerca volvulus 0.0153 0 0.5
Schistosoma mansoni hypothetical protein 0.0562 0.1925 0.1925
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0821 0.3146 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0226 0.0347 0.0573
Echinococcus granulosus ryanodine receptor 44f 0.1844 0.796 1
Echinococcus multilocularis ryanodine receptor 44f 0.1438 0.6051 0.7602
Loa Loa (eye worm) hypothetical protein 0.1438 0.6051 1
Loa Loa (eye worm) hypothetical protein 0.0415 0.1237 0.2045
Echinococcus granulosus ryanodine receptor 44f 0.1438 0.6051 0.7602

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Agonist activity at mouse TRPM8 expressed in HEK293 cells assessed as increase in calcium flux at 50 uM after 60 mins by Fluo-4 NW dye based fluorometric assay ChEMBL. 26847872
FC (binding) = 3 Agonist activity at mouse TRPM8 expressed in HEK293 cells assessed as increase in calcium flux at 50 uM after 60 mins by Fluo-4 NW dye based fluorometric assay relative to menthol ChEMBL. 26847872

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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