Detailed information for compound 1824203

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 257.414 | Formula: C18H27N
  • H donors: 0 H acceptors: 0 LogP: 4.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(CC#CCCc1ccc(cc1)C)CC
  • InChi: 1S/C18H27N/c1-4-6-15-19(5-2)16-9-7-8-10-18-13-11-17(3)12-14-18/h11-14H,4-6,8,10,15-16H2,1-3H3
  • InChiKey: MIVAROCCNIPHFE-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858

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
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.1083 0.4996
Entamoeba histolytica oligo-1,6-glucosidase, putative 0.0312 1 1
Toxoplasma gondii Alpha-amylase AMY3, putative 0.0074 0.2168 0.5
Echinococcus granulosus trehalose 6 phosphate hydrolase 0.0074 0.2168 0.2168
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.0135 0.0135
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.0135 0.0135
Trichomonas vaginalis alpha-amylase, putative 0.0074 0.2168 1
Trichomonas vaginalis alpha-amylase, putative 0.0074 0.2168 1
Echinococcus granulosus voltage gated potassium channel 0.0013 0.0135 0.0135
Toxoplasma gondii 1,4-alpha-glucan-branching enzyme 0.0074 0.2168 0.5
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0312 1 1
Trichomonas vaginalis alpha-amylase, putative 0.0074 0.2168 1
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0135 0.0135
Schistosoma mansoni alpha-amylase 0.0312 1 1
Schistosoma mansoni alpha-amylase 0.0312 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.118 0.118
Trichomonas vaginalis starch branching enzyme II, putative 0.0074 0.2168 1
Echinococcus granulosus alpha glucosidase 0.0312 1 1
Trichomonas vaginalis amylase, putative 0.0074 0.2168 1
Schistosoma mansoni starch branching enzyme II 0.0074 0.2168 0.2168
Toxoplasma gondii alpha amylase, catalytic domain-containing protein 0.0074 0.2168 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0135 0.0135
Giardia lamblia 1,4-alpha-glucan branching enzyme 0.0074 0.2168 0.5
Brugia malayi 1,4-alpha-glucan branching enzyme 0.0074 0.2168 0.2168
Toxoplasma gondii glycosyltransferase 0.0074 0.2168 0.5
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0312 1 0.5
Chlamydia trachomatis 1,4-alpha-glucan branching enzyme 0.0074 0.2168 0.5
Schistosoma mansoni alpha-amylase 0.0312 1 1
Mycobacterium tuberculosis Trehalose synthase TreS 0.0312 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.118 0.118
Loa Loa (eye worm) alpha amylase 0.0312 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.1083 0.4996
Trichomonas vaginalis alpha-amylase, putative 0.0074 0.2168 1
Mycobacterium ulcerans trehalose synthase TreS 0.0312 1 1
Trichomonas vaginalis alpha-amylase, putative 0.0074 0.2168 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.118 0.118
Loa Loa (eye worm) alpha amylase 0.0312 1 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0013 0.0135 0.0135
Echinococcus multilocularis alpha glucosidase 0.0312 1 1
Trichomonas vaginalis amylase, putative 0.0074 0.2168 1
Schistosoma mansoni alpha-amylase 0.0312 1 1
Trichomonas vaginalis alpha-amylase, putative 0.0074 0.2168 1
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.1315 0.1315
Trichomonas vaginalis amylase, putative 0.0074 0.2168 1
Trichomonas vaginalis alpha-amylase, putative 0.0074 0.2168 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0986 0.0986
Mycobacterium tuberculosis Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas 0.0312 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.1315 0.1315
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.118 0.118
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.0135 0.0135
Echinococcus granulosus glucan 14 alpha branching enzyme 1 0.0074 0.2168 0.2168
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.2168 1
Trichomonas vaginalis alpha-amylase, putative 0.0074 0.2168 1
Trichomonas vaginalis amylase, putative 0.0074 0.2168 1
Schistosoma mansoni alpha-amylase 0.0312 1 1
Trichomonas vaginalis alpha-amylase, putative 0.0074 0.2168 1
Schistosoma mansoni hypothetical protein 0.0074 0.2168 0.2168
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0135 0.0135
Trichomonas vaginalis alpha-amylase, putative 0.0074 0.2168 1
Trichomonas vaginalis alpha-amylase, putative 0.0074 0.2168 1
Trichomonas vaginalis alpha-amylase, putative 0.0074 0.2168 1
Chlamydia trachomatis glycogen hydrolase 0.0074 0.2168 0.5
Trichomonas vaginalis alpha-amylase, putative 0.0074 0.2168 1
Echinococcus multilocularis trehalose 6 phosphate hydrolase 0.0074 0.2168 0.2168
Echinococcus multilocularis glucan (1,4 alpha), branching enzyme 1 0.0074 0.2168 0.2168
Loa Loa (eye worm) hypothetical protein 0.0074 0.2168 0.2168

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5590 nM Displacement of [3H]astemizole from human ERG channel expressed in HEK293 cell membrane after 1 hr by scintillation counting analysis ChEMBL. 24224763

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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