TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 342.477 | Formula: C24H26N2
H donors: 0 H acceptors: 0 LogP: 5.34 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccccc1N1CCN(CC1)Cc1ccccc1c1ccccc1
InChi: 1S/C24H26N2/c1-20-9-5-8-14-24(20)26-17-15-25(16-18-26)19-22-12-6-7-13-23(22)21-10-3-2-4-11-21/h2-14H,15-19H2,1H3
InChiKey: GCBOCWXJTQDYBL-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	5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133074	All targets in OG5_133074
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133074	All targets in OG5_133074
Echinococcus multilocularis	biogenic amine (5HT) receptor	Get druggable targets OG5_133074	All targets in OG5_133074

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
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Toxoplasma gondii	CMGC kinase, CK2 family	0.1121	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Schistosoma mansoni	protein kinase	0.1121	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.1121	1	1
Schistosoma mansoni	casein kinase II beta subunit	0.0611	0.4586	0.2309
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Trichomonas vaginalis	CMGC family protein kinase	0.1121	1	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0611	0.4586	0.4586
Entamoeba histolytica	protein kinase domain containing protein	0.1121	1	1
Trypanosoma cruzi	casein kinase II, putative	0.1121	1	1
Echinococcus multilocularis	casein kinase ii subunit beta	0.0611	0.4586	0.2309
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.1121	1	1
Plasmodium vivax	unspecified product	0.1121	1	1
Entamoeba histolytica	casein kinase, putative	0.1121	1	1
Echinococcus granulosus	casein kinase ii subunit alpha	0.1121	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.1121	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Giardia lamblia	Kinase, CMGC CK2	0.1121	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Trichomonas vaginalis	CMGC family protein kinase	0.1121	1	1
Brugia malayi	Csnk2b protein	0.0611	0.4586	0.4586
Giardia lamblia	Casein kinase II beta chain	0.0611	0.4586	0.4586
Trichomonas vaginalis	CMGC family protein kinase	0.1121	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0611	0.4586	0.4586
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Trypanosoma brucei	Casein kinase II	0.1121	1	1
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0611	0.4586	0.5
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Loa Loa (eye worm)	Csnk2b protein	0.0611	0.4586	0.4586
Trichomonas vaginalis	CMGC family protein kinase	0.1121	1	1
Echinococcus granulosus	casein kinase ii subunit beta	0.0611	0.4586	0.2309
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0611	0.4586	0.4586
Plasmodium falciparum	casein kinase 2, alpha subunit	0.1121	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.1121	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0611	0.4586	0.5
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Leishmania major	casein kinase II, putative	0.1121	1	1
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.1121	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0611	0.4586	0.4586
Echinococcus multilocularis	casein kinase ii subunit alpha	0.1121	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 5.76	Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHOK1 cells	ChEMBL.	23541835
Ki (binding)	= 1750 nM	Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHOK1 cells	ChEMBL.	23541835

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: CHEMBL2376448

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 1766670