TDR Targets

Basic information

Technical information

TDR Targets ID: 410920
Name: 2-[(4-chlorophenyl)-cyclopentylmethyl]piperid ine
MW: 277.832 | Formula: C17H24ClN
H donors: 1 H acceptors: 0 LogP: 5.28 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)C(C1CCCCN1)C1CCCC1
InChi: 1S/C17H24ClN/c18-15-10-8-14(9-11-15)17(13-5-1-2-6-13)16-7-3-4-12-19-16/h8-11,13,16-17,19H,1-7,12H2
InChiKey: ZHNMSSREJSABQA-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

2-[(4-chlorophenyl)-cyclopentyl-methyl]piperidine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 4	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 3	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	norepinephrine/norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	serotonin transporter b	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus granulosus	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Treponema pallidum	sodium- and chloride- dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent noradrenaline transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 3	620 aa	579 aa	33.2 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 4	630 aa	574 aa	31.5 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 2	617 aa	638 aa	32.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.005	0.068	0.0653
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.068	0.5
Loa Loa (eye worm)	hypothetical protein	0.0292	1	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.068	0.0653
Echinococcus granulosus	serotonin transporter	0.0292	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.003	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.068	0.0653
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0032	0	0.5
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.068	0.0653
Toxoplasma gondii	hypothetical protein	0.005	0.068	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.068	0.0653
Toxoplasma gondii	hypothetical protein	0.005	0.068	1
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0032	0	0.5
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.068	0.0653
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.068	0.0653
Loa Loa (eye worm)	hypothetical protein	0.005	0.068	0.0653
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.068	0.0653
Plasmodium falciparum	transporter, putative	0.005	0.068	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.068	0.0653
Loa Loa (eye worm)	norepinephrine transporter	0.0292	1	1
Plasmodium vivax	amine transporter, putative	0.005	0.068	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.068	0.0653
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.068	1
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.068	0.0653
Echinococcus multilocularis	serotonin transporter	0.0292	1	1
Plasmodium vivax	hypothetical protein, conserved	0.005	0.068	0.5
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.068	1
Plasmodium falciparum	amino acid transporter, putative	0.005	0.068	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.068	0.0653
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.068	0.0653
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.068	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0292	1	1
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.068	0.0653
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.068	0.0653
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.068	1
Loa Loa (eye worm)	serotonin transporter b	0.0292	1	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.068	0.0653
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.068	0.0653
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.068	0.0653
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	1	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.068	0.0653
Brugia malayi	hypothetical protein	0.005	0.068	0.0653
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0032	0	0.5
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	1	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.068	0.0653
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.068	0.0653
Trichomonas vaginalis	rotamase, putative	0.0033	0.003	1
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.068	0.0653
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.068	0.0653
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	1	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.068	0.0653
Onchocerca volvulus		0.0292	1	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.068	0.0653
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.068	0.0653
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.068	0.0653
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.068	0.0653
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0032	0	0.5
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0032	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0292	1	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.068	0.0653
Loa Loa (eye worm)	hypothetical protein	0.005	0.068	0.0653
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.068	0.0653
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.068	0.0653
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.068	0.0653

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 27 nM	Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 27 nM	Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 44 nM	Inhibition of [3H]NE uptake into human NET expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 44 nM	Inhibition of [3H]NE uptake into human NET expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 240 nM	Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 240 nM	Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 1000 nM	Inhibition of [3H]NE uptake into human NET expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 1000 nM	Inhibition of [3H]NE uptake into human NET expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 4200 nM	Inhibition of [3H]5HT uptake into human SERT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 4200 nM	Inhibition of [3H]5HT uptake into human SERT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 4600 nM	Inhibition of [3H]5HT uptake into human SERT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 4600 nM	Inhibition of [3H]5HT uptake into human SERT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 36 nM	Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 36 nM	Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 380 nM	Displacement of [125I]RTI-55 from human NET expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 380 nM	Displacement of [125I]RTI-55 from human NET expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 690 nM	Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 690 nM	Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 3300 nM	Displacement of [125I]RTI-55 from human NET expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 3300 nM	Displacement of [125I]RTI-55 from human NET expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 4600 nM	Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 4600 nM	Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 5700 nM	Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 5700 nM	Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells	ChEMBL.	17228864
Ratio Ki (binding)	= 1.6	Selectivity for human DAT over human NET in radio ligand uptake assay	ChEMBL.	17228864
Ratio Ki (binding)	= 11	Selectivity for human DAT over human NET in radio ligand binding assay	ChEMBL.	17228864

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: CHEMBL375118
PubChem: 16102763

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 410920