TDR Targets

Basic information

Technical information

TDR Targets ID: 410812
Name: 2-[1-(4-chlorophenyl)-2-phenylethyl]piperidin e
MW: 299.838 | Formula: C19H22ClN
H donors: 1 H acceptors: 0 LogP: 5.04 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)C(C1CCCCN1)Cc1ccccc1
InChi: 1S/C19H22ClN/c20-17-11-9-16(10-12-17)18(19-8-4-5-13-21-19)14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18-19,21H,4-5,8,13-14H2
InChiKey: SOCRIYWOGGANHT-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-[1-(4-chlorophenyl)-2-phenyl-ethyl]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 2	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Onchocerca volvulus		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 mansoni	norepinephrine/norepinephrine 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
Loa Loa (eye worm)	hypothetical protein	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	Sodium-dependent dopamine transporter, 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
Schistosoma japonicum	Sodium-dependent noradrenaline 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
Echinococcus multilocularis	serotonin 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 japonicum	Sodium-dependent dopamine transporter, putative	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
Brugia malayi	Sodium:neurotransmitter symporter family 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	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	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
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
Entamoeba histolytica	cysteine proteinase, putative	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0355	1	1
Leishmania major	cathepsin L-like protease	0.0355	1	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0355	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0355	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0355	1	1
Onchocerca volvulus		0.0355	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0355	1	1
Brugia malayi	Cathepsin L-like precursor	0.0238	0.3182	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0355	1	1
Onchocerca volvulus		0.0355	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0238	0.3182	0.3182
Echinococcus granulosus	cathepsin l1	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0355	1	1
Onchocerca volvulus		0.0355	1	1
Loa Loa (eye worm)	hypothetical protein	0.0292	0.632	0.4602
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0238	0.3182	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0355	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0355	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0355	1	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.632	0.632
Loa Loa (eye worm)	hypothetical protein	0.0355	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0355	1	1
Leishmania major	cathepsin L-like protease	0.0355	1	0.5
Leishmania major	cathepsin L-like protease	0.0355	1	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0355	1	1
Loa Loa (eye worm)	ctsf protein	0.0355	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0355	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0355	1	1
Entamoeba histolytica	cysteine protease, putative	0.0355	1	1
Loa Loa (eye worm)	cysteine protease	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	1	1
Loa Loa (eye worm)	fibroinase	0.0355	1	1
Plasmodium vivax	vivapain-2	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	1	1
Brugia malayi	Cathepsin L-like precursor	0.0238	0.3182	0.3182
Brugia malayi	Cathepsin L-like precursor	0.0355	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0355	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0355	1	1
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.632	0.4602
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0355	1	1
Loa Loa (eye worm)	hypothetical protein	0.0292	0.632	0.4602
Plasmodium vivax	vivapain-2	0.0355	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	1	1
Loa Loa (eye worm)	hypothetical protein	0.0292	0.632	0.4602
Leishmania major	cathepsin L-like protease	0.0355	1	0.5
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0355	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0355	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0355	1	1
Brugia malayi	cathepsin L-like precursor	0.0238	0.3182	0.3182
Trypanosoma cruzi	cysteine peptidase, putative	0.0355	1	1
Onchocerca volvulus		0.0355	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0355	1	1
Onchocerca volvulus		0.0355	1	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.632	0.4602
Echinococcus granulosus	serotonin transporter	0.0292	0.632	0.632
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0355	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0355	1	1
Echinococcus multilocularis	serotonin transporter	0.0292	0.632	0.632
Leishmania major	cathepsin L-like protease	0.0355	1	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0355	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0355	1	1
Brugia malayi	Cathepsin L-like precursor	0.0355	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0355	1	1
Onchocerca volvulus		0.0355	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0238	0.3182	0.3182
Echinococcus multilocularis	cysteine protease	0.0355	1	1
Brugia malayi	Cathepsin L-like precursor	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0355	1	1
Echinococcus granulosus	cathepsin l1	0.0238	0.3182	0.3182
Leishmania major	cathepsin L-like protease	0.0355	1	0.5
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0355	1	1
Echinococcus multilocularis	cysteine protease	0.0355	1	1
Onchocerca volvulus		0.0292	0.632	0.4602
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0238	0.3182	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	1	1
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	0.632	0.5
Leishmania major	cathepsin L-like protease	0.0355	1	0.5
Toxoplasma gondii	cathepsin CPL	0.0355	1	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0355	1	1
Leishmania major	cysteine peptidase A (CPA)	0.0355	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0238	0.3182	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0355	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0355	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0355	1	1
Onchocerca volvulus		0.0355	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0238	0.3182	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	1	1
Brugia malayi	Cathepsin L-like precursor	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0355	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0355	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0355	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0355	1	1
Brugia malayi	Cathepsin L-like precursor	0.0355	1	1
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.632	0.4602
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	1	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.632	0.632
Leishmania major	cathepsin L-like protease	0.0355	1	0.5
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.632	0.632

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 370 nM	Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 370 nM	Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 390 nM	Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 390 nM	Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 1100 nM	Inhibition of [3H]5HT uptake into human SERT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 1100 nM	Inhibition of [3H]5HT uptake into human SERT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 2900 nM	Inhibition of [3H]NE uptake into human NET expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 2900 nM	Inhibition of [3H]NE uptake into human NET expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 4700 nM	Inhibition of [3H]5HT uptake into human SERT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	= 4700 nM	Inhibition of [3H]5HT uptake into human SERT expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	> 8800 nM	Inhibition of [3H]NE uptake into human NET expressing HEK293 cells	ChEMBL.	17228864
IC50 (binding)	> 8800 nM	Inhibition of [3H]NE uptake into human NET expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 440 nM	Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 440 nM	Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 550 nM	Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 550 nM	Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 1100 nM	Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 1100 nM	Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 2900 nM	Displacement of [125I]RTI-55 from human NET expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 2900 nM	Displacement of [125I]RTI-55 from human NET expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 4000 nM	Displacement of [125I]RTI-55 from human NET expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 4000 nM	Displacement of [125I]RTI-55 from human NET expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 4300 nM	Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells	ChEMBL.	17228864
Ki (binding)	= 4300 nM	Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells	ChEMBL.	17228864
Ratio Ki (binding)	= 6.6	Selectivity for human DAT over human NET in radio ligand binding assay	ChEMBL.	17228864
Ratio Ki (binding)	= 7.8	Selectivity for human DAT over human NET in radio ligand uptake 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: CHEMBL373773
PubChem: 16102759

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 410812