TDR Targets

Basic information

Technical information

TDR Targets ID: 1583954
Name: N,N-dimethyl-1-(1-phenylcyclopentyl)methanami ne hydrochloride
MW: 239.784 | Formula: C14H22ClN
H donors: 0 H acceptors: 0 LogP: 4.39 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN(CC1(CCCC1)c1ccccc1)C.Cl
InChi: 1S/C14H21N.ClH/c1-15(2)12-14(10-6-7-11-14)13-8-4-3-5-9-13;/h3-5,8-9H,6-7,10-12H2,1-2H3;1H
InChiKey: XOHIEMHXEQQYLE-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

N,N-dimethyl-1-(1-phenylcyclopentyl)methanamine; hydron; chloride
dimethyl-[(1-phenylcyclopentyl)methyl]amine; hydron; chloride
dimethyl-[(1-phenylcyclopentyl)methyl]amine hydrochloride
MLS000074348
SMR000010688
Dimethyl-(1-phenyl-cyclopentylmethyl)-amine

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
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0015	0.7201	0.7201
Loa Loa (eye worm)	hypothetical protein	0.0015	0.7201	0.7201
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	1	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0018	1	0.5
Echinococcus multilocularis	FTZ F1 alpha	0.0015	0.7201	0.7201
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0015	0.7201	0.7201
Schistosoma mansoni	RAR-like nuclear receptor	0.0015	0.7201	0.7201
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0015	0.7201	0.7201
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0015	0.7201	0.7201
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0015	0.7201	0.7201
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0015	0.7201	0.7201
Onchocerca volvulus	Protein ultraspiracle homolog	0.0015	0.7201	0.5
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	1	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0015	0.7201	0.7201
Loa Loa (eye worm)	hypothetical protein	0.0015	0.7201	0.7201
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0015	0.7201	0.7201
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0015	0.7201	0.7201
Loa Loa (eye worm)	steroid hormone receptor	0.0015	0.7201	0.7201
Onchocerca volvulus		0.0015	0.7201	0.5
Schistosoma mansoni	ap endonuclease	0.0018	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0015	0.7201	0.7201
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0015	0.7201	0.7201
Schistosoma mansoni	coup transcription factor	0.0015	0.7201	0.7201
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	1	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0015	0.7201	0.7201
Brugia malayi	steroid hormone receptor	0.0015	0.7201	0.7201
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0015	0.7201	0.7201
Schistosoma mansoni	ap endonuclease	0.0018	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0015	0.7201	0.7201
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0015	0.7201	0.7201
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0015	0.7201	0.7201
Loa Loa (eye worm)	hypothetical protein	0.0015	0.7201	0.7201
Brugia malayi	ecdysteroid receptor	0.0015	0.7201	0.7201
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	1	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0015	0.7201	0.7201
Brugia malayi	nuclear hormone receptor	0.0015	0.7201	0.7201
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.7201	0.7201
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0015	0.7201	0.7201
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	1	0.5
Trichomonas vaginalis	ap endonuclease, putative	0.0018	1	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0015	0.7201	0.7201
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0015	0.7201	0.7201
Loa Loa (eye worm)	hypothetical protein	0.0015	0.7201	0.7201
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.7201	0.7201
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0015	0.7201	0.7201
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	1	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0015	0.7201	0.7201
Echinococcus multilocularis	ecdysone induced protein 78C	0.0015	0.7201	0.7201
Schistosoma mansoni	nuclear hormone receptor	0.0015	0.7201	0.7201
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0015	0.7201	0.7201
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0015	0.7201	0.7201
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	1	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0015	0.7201	0.7201
Loa Loa (eye worm)	hypothetical protein	0.0015	0.7201	0.7201
Echinococcus granulosus	ecdysone induced protein 78C	0.0015	0.7201	0.7201
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0015	0.7201	0.7201
Schistosoma mansoni	retinoic acid receptor RXR	0.0015	0.7201	0.7201
Toxoplasma gondii	exonuclease III APE	0.0018	1	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0015	0.7201	0.7201
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0015	0.7201	0.7201
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0015	0.7201	0.7201
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	1	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0015	0.7201	0.7201
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	1	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0015	0.7201	0.7201
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	1	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0015	0.7201	0.7201
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0015	0.7201	0.7201
Echinococcus granulosus	FTZ F1 alpha	0.0015	0.7201	0.7201
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0015	0.7201	0.7201
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0015	0.7201	0.7201
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0015	0.7201	0.7201
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0015	0.7201	0.7201
Loa Loa (eye worm)	hypothetical protein	0.0015	0.7201	0.7201
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0015	0.7201	0.7201
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	1	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0015	0.7201	0.7201
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0015	0.7201	0.7201
Schistosoma mansoni	thyroid hormone receptor	0.0015	0.7201	0.7201
Brugia malayi	Nuclear hormone receptor-like 1	0.0015	0.7201	0.7201
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0015	0.7201	0.7201
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	1	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0015	0.7201	0.7201
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0015	0.7201	0.7201
Brugia malayi	nuclear receptor NHR-88	0.0015	0.7201	0.7201
Onchocerca volvulus	Bile acid receptor homolog	0.0015	0.7201	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0015	0.7201	0.7201
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0015	0.7201	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1891464

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1583954