TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 378.509 | Formula: C27H26N2
H donors: 1 H acceptors: 0 LogP: 6.69 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)N1C2CCC1CC(C2)c1c([nH]c2c1cccc2)c1ccccc1
InChi: 1S/C27H26N2/c1-3-9-19(10-4-1)27-26(24-13-7-8-14-25(24)28-27)20-17-22-15-16-23(18-20)29(22)21-11-5-2-6-12-21/h1-14,20,22-23,28H,15-18H2
InChiKey: IUDRMGZXAUQZQV-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
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
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
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
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 mansoni	voltage-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
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

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)	hypothetical protein	0.0039	0.3908	0.8141
Leishmania major	DNA polymerase eta, putative	0.0019	0.0888	0.5
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.4801	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.4801	0.4801
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0888	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0888	0.185
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0888	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0973	0.1494
Entamoeba histolytica	hypothetical protein	0.0036	0.348	1
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.5422	0.8326
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0888	0.5
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0888	0.0888
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.4801	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0888	0.185
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0888	1
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0888	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.348	1
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0888	0.0888
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0888	0.1364
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0888	0.0888
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0888	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0888	0.5
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0888	0.5
Schistosoma mansoni	hypothetical protein	0.0036	0.348	0.5345
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.348	0.5345
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0888	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0888	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.4356	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0888	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0888	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0888	1
Trypanosoma brucei	unspecified product	0.0019	0.0888	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0973	0.1494
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0888	0.5
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0888	0.5
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0888	0.0888
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0888	0.0888
Schistosoma mansoni	hypothetical protein	0.0023	0.153	0.235
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.4801	0.4801
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0888	0.1364
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.348	0.348
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0888	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.348	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0888	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0888	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0888	1
Entamoeba histolytica	hypothetical protein	0.0036	0.348	1
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0888	0.1364
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0888	0.5
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0888	0.185
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.5422	0.8326
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.4356	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0888	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0888	0.5
Schistosoma mansoni	sortilin	0.0056	0.6511	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0888	0.185
Brugia malayi	hypothetical protein	0.0036	0.348	0.725
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0888	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.348	0.348
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0888	1
Echinococcus granulosus	dna polymerase eta	0.0019	0.0888	0.0888
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0888	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0888	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7.75	Inhibition of human ERG	ChEMBL.	21185626

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: CHEMBL1671894

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 1504895