TDR Targets

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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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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
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
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	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
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
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 granulosus	potassium voltage gated channel subfamily H	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 multilocularis	potassium voltage gated channel subfamily H	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	Potassium voltage-gated channel subfamily H member 2, 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

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

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

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

ChEMBL: CHEMBL2324251

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1727484