TDR Targets

Basic information

Technical information

TDR Targets ID: 1193122
Name: N-[1-(cyclooctylmethyl)-1-(phenylmethyl)piper idin-1-ium-4-yl]-9H-xanthene-9-carboxamide
MW: 523.728 | Formula: C35H43N2O2+
H donors: 1 H acceptors: 1 LogP: 7.99 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: O=C(C1c2ccccc2Oc2c1cccc2)NC1CC[N+](CC1)(CC1CCCCCCC1)Cc1ccccc1
InChi: 1S/C35H42N2O2/c38-35(34-30-17-9-11-19-32(30)39-33-20-12-10-18-31(33)34)36-29-21-23-37(24-22-29,26-28-15-7-4-8-16-28)25-27-13-5-2-1-3-6-14-27/h4,7-12,15-20,27,29,34H,1-3,5-6,13-14,21-26H2/p+1
InChiKey: NNLGZGRXOYTAHH-UHFFFAOYSA-O

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

N-[1-(cyclooctylmethyl)-1-(phenylmethyl)-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide
N-[1-(benzyl)-1-(cyclooctylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.1155	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.1155	0.1155
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.1155	0.1155
Loa Loa (eye worm)	hypothetical protein	0.0011	0.1155	0.1155
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.1155	0.1155
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.1155	0.1155
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.1155	0.1155
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.1155	0.1155
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.1155	0.1155
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.1155	0.1155
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.1155	0.1155
Brugia malayi	steroid hormone receptor	0.0011	0.1155	0.1155
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.1155	0.1155
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.1155	0.1155
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.1155	0.1155
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.1155	0.1155
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.1155	0.1155
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.1155	0.1155
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0037	0.7161	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.1155	0.1155
Loa Loa (eye worm)	hypothetical protein	0.0011	0.1155	0.1155
Toxoplasma gondii	Erv1 / Alr family protein	0.0037	0.7161	1
Toxoplasma gondii	Erv1 / Alr family protein	0.0037	0.7161	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.1155	0.1155
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.1155	0.1155
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0037	0.7161	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.1155	0.1155
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.1155	0.1155
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.1155	0.1155
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.1155	0.1155
Loa Loa (eye worm)	hypothetical protein	0.0011	0.1155	0.1155
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.1155	0.1155
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.1155	0.1155
Loa Loa (eye worm)	hypothetical protein	0.0011	0.1155	0.1155
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.1155	0.1155
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.1155	0.1155
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0037	0.7161	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.1155	0.1155
Leishmania major	hypothetical protein, conserved	0.0037	0.7161	0.5
Schistosoma mansoni	coup transcription factor	0.0011	0.1155	0.1155
Brugia malayi	ecdysteroid receptor	0.0011	0.1155	0.1155
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0037	0.7161	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.1155	0.1155
Loa Loa (eye worm)	hepatopoietin HPO2	0.0037	0.7161	0.7161
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.1155	0.1155
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.1155	0.1155
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.1155	0.1155
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.1155	0.1155
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0037	0.7161	0.7161
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.1155	0.1155
Onchocerca volvulus		0.0011	0.1155	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.1155	0.1155
Brugia malayi	nuclear hormone receptor	0.0011	0.1155	0.1155
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.1155	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.1155	0.1155
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.1155	0.1155
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.1155	0.1155
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.1155	0.1155
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0037	0.7161	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.1155	0.1155
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.1155	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.1155	0.1155
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.1155	0.1155
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.1155	0.1155
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.1155	0.1155
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.1155	0.1155
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0037	0.7161	0.7161
Brugia malayi	nuclear receptor NHR-88	0.0011	0.1155	0.1155
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0037	0.7161	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.1155	0.1155
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.1155	0.1155
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.1155	0.1155
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.1155	0.1155
Loa Loa (eye worm)	hypothetical protein	0.0011	0.1155	0.1155
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.1155	0.1155
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.1155	0.1155
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.1155	0.1155
Brugia malayi	Augmenter of liver regeneration	0.0037	0.7161	0.7161
Loa Loa (eye worm)	hypothetical protein	0.0011	0.1155	0.1155
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.1155	0.1155
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.1155	0.1155
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.1155	0.1155
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.1155	0.1155
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.1155	0.1155

Activities

No activities found for this compound.

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: CHEMBL1178588

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1193122