Detailed information for compound 1727484

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.433 | Formula: C22H24N+
  • H donors: 0 H acceptors: 0 LogP: 5.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[n+]1c(CCc2ccccc2)cccc1CCc1ccccc1
  • InChi: 1S/C22H24N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-14H,15-18H2,1H3/q+1
  • InChiKey: KLTDNTJBIMLXDF-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
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 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
Echinococcus granulosus potassium voltage gated channel subfamily H 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 mansoni voltage-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
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) voltage and ligand gated potassium channel 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 japonicum Potassium voltage-gated channel subfamily H member 2, putative 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

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
Echinococcus multilocularis Tubulin alpha 1 chain 0.0395 0.6481 0.6443
Plasmodium vivax tubulin gamma chain, putative 0.0298 0.4717 0.3673
Loa Loa (eye worm) hypothetical protein 0.0226 0.3414 0.3414
Trichomonas vaginalis tubulin epsilon chain, putative 0.0395 0.6481 0.6462
Leishmania major alpha tubulin 0.0395 0.6481 0.5785
Trichomonas vaginalis tubulin alpha chain, putative 0.0298 0.4717 0.4688
Echinococcus granulosus tubulin delta chain 0.0129 0.165 0.156
Echinococcus multilocularis tubulin delta chain 0.0129 0.165 0.156
Loa Loa (eye worm) tubulin alpha 2 0.0097 0.1061 0.1061
Trichomonas vaginalis tubulin beta chain, putative 0.0395 0.6481 0.6462
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0129 0.165 0.5
Echinococcus granulosus tubulin gamma 1 chain 0.0298 0.4717 0.466
Trichomonas vaginalis tubulin beta chain, putative 0.0395 0.6481 0.6462
Schistosoma mansoni tubulin subunit alpha 0.0129 0.165 0.1496
Echinococcus multilocularis tubulin alpha chain 0.0395 0.6481 0.6443
Plasmodium falciparum alpha tubulin 2 0.0395 0.6481 0.5785
Schistosoma mansoni tubulin subunit alpha 0.0395 0.6481 0.6416
Trypanosoma brucei epsilon tubulin 0.0298 0.4717 0.3673
Mycobacterium tuberculosis Cell division protein FtsZ 0.0129 0.165 0.5
Mycobacterium ulcerans cell division protein FtsZ 0.0129 0.165 0.5
Echinococcus granulosus tubulin alpha chain 0.0395 0.6481 0.6443
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0107 0.0107
Brugia malayi Cell division protein ftsZ 0.0129 0.165 0.156
Trypanosoma brucei alpha tubulin 0.0395 0.6481 0.5785
Brugia malayi Tubulin beta chain 0.0129 0.165 0.156
Plasmodium falciparum tubulin gamma chain 0.0298 0.4717 0.3673
Onchocerca volvulus 0.0169 0.2364 0.5
Echinococcus multilocularis tubulin alpha 3 chain 0.0395 0.6481 0.6443
Trypanosoma cruzi tubulin gamma chain 0.0298 0.4717 0.3673
Leishmania major alpha tubulin 0.0395 0.6481 0.5785
Trichomonas vaginalis tubulin gamma chain, putative 0.0298 0.4717 0.4688
Trichomonas vaginalis tubulin, putative 0.0169 0.2364 0.2322
Trichomonas vaginalis tubulin alpha chain, putative 0.0169 0.2364 0.2322
Trypanosoma cruzi alpha tubulin, putative 0.0395 0.6481 0.5785
Schistosoma mansoni alpha tubulin 0.0395 0.6481 0.6416
Mycobacterium leprae cell division protein FtsZ 0.0129 0.165 0.5
Plasmodium vivax tubulin alpha chain, putative 0.0395 0.6481 0.5785
Echinococcus multilocularis tubulin epsilon chain 0.0298 0.4717 0.466
Echinococcus granulosus tubulin alpha 3 chain 0.0395 0.6481 0.6443
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0266 0.4128 0.4096
Trichomonas vaginalis tubulin gamma chain, putative 0.0298 0.4717 0.4688
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0395 0.6481 0.6462
Echinococcus granulosus Tubulin alpha 1 chain 0.0395 0.6481 0.6443
Loa Loa (eye worm) alpha-tubulin 0.0395 0.6481 0.6481
Schistosoma mansoni tubulin subunit delta 0.0129 0.165 0.1496
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0266 0.4128 0.4128
Brugia malayi Tubulin alpha chain 0.0129 0.165 0.156
Echinococcus granulosus tubulin alpha 1C chain 0.0395 0.6481 0.6443
Leishmania major alpha tubulin 0.0395 0.6481 0.5785
Trichomonas vaginalis tubulin beta chain, putative 0.0395 0.6481 0.6462
Trypanosoma brucei alpha tubulin, putative 0.0169 0.2364 0.0854
Plasmodium falciparum tubulin epsilon chain, putative 0.0298 0.4717 0.3673
Schistosoma mansoni alpha tubulin 0.0395 0.6481 0.6416
Trypanosoma brucei alpha tubulin 0.0395 0.6481 0.5785
Trypanosoma cruzi epsilon tubulin, putative 0.0298 0.4717 0.3673
Plasmodium falciparum alpha tubulin 1 0.0395 0.6481 0.5785
Loa Loa (eye worm) hypothetical protein 0.0266 0.4128 0.4128
Echinococcus granulosus tubulin alpha chain 0.0395 0.6481 0.6443
Loa Loa (eye worm) tubulin alpha-2 chain 0.0395 0.6481 0.6481
Echinococcus multilocularis tubulin subunit TubB 0.0395 0.6481 0.6443
Loa Loa (eye worm) tubulin alpha chain 0.0395 0.6481 0.6481
Leishmania major alpha tubulin 0.0395 0.6481 0.5785
Leishmania major alpha tubulin 0.0395 0.6481 0.5785
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.165 0.1605
Trypanosoma brucei epsilon tubulin 0.0298 0.4717 0.3673
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0129 0.165 0.1605
Toxoplasma gondii alpha-tubulin I, putative 0.0395 0.6481 0.5785
Brugia malayi Tubulin alpha chain 0.0395 0.6481 0.6443
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0298 0.4717 0.3673
Schistosoma mansoni tubulin subunit beta 0.0129 0.165 0.1496
Schistosoma mansoni tubulin subunit epsilon 0.0298 0.4717 0.4619
Leishmania major alpha tubulin 0.0395 0.6481 0.5785
Echinococcus multilocularis hypothetical protein 0.0395 0.6481 0.6443
Trichomonas vaginalis tubulin epsilon chain, putative 0.0395 0.6481 0.6462
Loa Loa (eye worm) tubulin alpha 2 0.0266 0.4128 0.4128
Echinococcus multilocularis tubulin alpha chain 0.0395 0.6481 0.6443
Trypanosoma brucei epsilon tubulin 0.0298 0.4717 0.3673
Trichomonas vaginalis tubulin beta chain, putative 0.0169 0.2364 0.2322
Treponema pallidum cell division protein FtsZ 0.0129 0.165 0.5
Schistosoma mansoni alpha tubulin 0.0395 0.6481 0.6416
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0226 0.3414 0.3379
Trichomonas vaginalis tubulin, putative 0.0169 0.2364 0.2322
Loa Loa (eye worm) tubulin alpha-3 chain 0.0226 0.3414 0.3414
Giardia lamblia Gamma tubulin 0.0298 0.4717 0.3673
Echinococcus multilocularis tubulin gamma 1 chain 0.0298 0.4717 0.466
Echinococcus granulosus peroxisome assembly protein 26 0.0395 0.6481 0.6443
Schistosoma mansoni tubulin subunit alpha 0.0395 0.6481 0.6416
Leishmania major epsilon tubulin, putative 0.0298 0.4717 0.3673
Leishmania major alpha tubulin 0.0395 0.6481 0.5785
Echinococcus multilocularis tubulin alpha 1C chain 0.0395 0.6481 0.6443
Echinococcus granulosus tubulin alpha chain 0.0395 0.6481 0.6443
Leishmania major alpha tubulin 0.0395 0.6481 0.5785
Loa Loa (eye worm) alpha-tubulin 0.0395 0.6481 0.6481
Plasmodium vivax tubulin alpha chain, putative 0.0395 0.6481 0.5785
Echinococcus multilocularis tubulin alpha chain 0.0395 0.6481 0.6443
Loa Loa (eye worm) tubulin beta chain 0.0129 0.165 0.165
Schistosoma mansoni tubulin subunit gamma 0.0298 0.4717 0.4619
Brugia malayi alpha-tubulin 0.0395 0.6481 0.6443
Echinococcus multilocularis Tubulin alpha 1 chain 0.0395 0.6481 0.6443
Trichomonas vaginalis tubulin beta chain, putative 0.0395 0.6481 0.6462
Entamoeba histolytica tubulin alpha-1 chain 0.0395 0.6481 0.3339
Echinococcus multilocularis tubulin alpha chain 0.0395 0.6481 0.6443
Echinococcus multilocularis tubulin alpha 0.0298 0.4717 0.466
Plasmodium vivax tubulin epsilon chain, putative 0.0298 0.4717 0.3673
Echinococcus multilocularis tubulin alpha 3 chain 0.0395 0.6481 0.6443
Trypanosoma brucei tubulin gamma chain 0.0298 0.4717 0.3673
Leishmania major alpha tubulin 0.0395 0.6481 0.5785
Leishmania major alpha tubulin 0.0395 0.6481 0.5785
Trypanosoma brucei alpha tubulin 0.0395 0.6481 0.5785
Echinococcus granulosus tubulin alpha chain 0.0395 0.6481 0.6443
Loa Loa (eye worm) hypothetical protein 0.0395 0.6481 0.6481
Echinococcus granulosus tubulin alpha 1C chain 0.0395 0.6481 0.6443
Trichomonas vaginalis tubulin gamma chain, putative 0.0129 0.165 0.1605
Trichomonas vaginalis tubulin epsilon chain, putative 0.0129 0.165 0.1605
Trichomonas vaginalis tubulin alpha chain, putative 0.0169 0.2364 0.2322
Brugia malayi Tubulin beta chain 0.0169 0.2364 0.2281
Trichomonas vaginalis tubulin alpha chain, putative 0.0169 0.2364 0.2322
Entamoeba histolytica tubulin alpha chain, putative 0.0395 0.6481 0.3339
Loa Loa (eye worm) tubulin alpha 2 0.0266 0.4128 0.4128
Echinococcus granulosus tubulin epsilon chain 0.0298 0.4717 0.466
Trichomonas vaginalis tubulin beta chain, putative 0.0395 0.6481 0.6462
Echinococcus granulosus Tubulin alpha 1 chain 0.0395 0.6481 0.6443
Brugia malayi Tubulin alpha-2 chain 0.0395 0.6481 0.6443
Trichomonas vaginalis tubulin, putative 0.0129 0.165 0.1605
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0169 0.2364 0.2322
Trypanosoma brucei alpha tubulin 0.0395 0.6481 0.5785
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.165 0.1605
Echinococcus granulosus tubulin subunit TubB 0.0395 0.6481 0.6443
Brugia malayi Tubulin alpha-2 chain 0.0395 0.6481 0.6443
Echinococcus granulosus Tubulin alpha 1 chain 0.0395 0.6481 0.6443
Echinococcus granulosus alpha tubulin 0.0395 0.6481 0.6443
Echinococcus multilocularis peroxisome assembly protein 26 0.0395 0.6481 0.6443
Leishmania major gamma-tubulin 0.0298 0.4717 0.3673
Brugia malayi tubulin alpha chain - mouse 0.0395 0.6481 0.6443
Echinococcus multilocularis Tubulin alpha 1 chain 0.0395 0.6481 0.6443
Trypanosoma brucei beta tubulin 0.0298 0.4717 0.3673
Echinococcus granulosus tubulin alpha 0.0298 0.4717 0.466
Echinococcus multilocularis tubulin alpha chain 0.0395 0.6481 0.6443
Loa Loa (eye worm) tubulin gamma chain 0.0298 0.4717 0.4717
Leishmania major alpha tubulin 0.0395 0.6481 0.5785
Leishmania major alpha tubulin 0.0395 0.6481 0.5785
Echinococcus granulosus tubulin alpha chain 0.0395 0.6481 0.6443
Echinococcus granulosus tubulin alpha 3 chain 0.0395 0.6481 0.6443
Toxoplasma gondii alpha tubulin TUBA1 0.0395 0.6481 0.5785
Trichomonas vaginalis tubulin beta chain, putative 0.0395 0.6481 0.6462
Giardia lamblia Alpha-tubulin 0.0395 0.6481 0.5785
Giardia lamblia Alpha-tubulin 0.0395 0.6481 0.5785
Brugia malayi tubulin alpha-2 chain 0.0395 0.6481 0.6443
Schistosoma mansoni tubulin subunit alpha 0.0395 0.6481 0.6416
Trypanosoma cruzi epsilon tubulin, putative 0.0298 0.4717 0.3673
Loa Loa (eye worm) tubulin alpha chain 0.0395 0.6481 0.6481
Echinococcus multilocularis tubulin alpha 1C chain 0.0395 0.6481 0.6443
Brugia malayi Tubulin gamma chain 0.0298 0.4717 0.466

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 466 nM Displacement of [3H]astemizole from human ERG K+ channel expressed in HEK293 cells by scintillation spectrophotometric analysis ChEMBL. 23473309

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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