TDR Targets

Basic information

Technical information

TDR Targets ID: 28143
Name: 4-[(3,5-dichlorophenyl)methoxymethyl]-4-pheny lpiperidine
MW: 350.282 | Formula: C19H21Cl2NO
H donors: 1 H acceptors: 0 LogP: 4.64 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)Cl
InChi: 1S/C19H21Cl2NO/c20-17-10-15(11-18(21)12-17)13-23-14-19(6-8-22-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,22H,6-9,13-14H2
InChiKey: OZUBKKRURPSIKW-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

4-[(3,5-dichlorophenyl)methoxymethyl]-4-phenyl-piperidine
4-[(3,5-dichlorobenzyl)oxymethyl]-4-phenyl-piperidine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	tachykinin receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04224 tachykinin receptor 3, putative	Get druggable targets OG5_137770	All targets in OG5_137770

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 multilocularis	thymidylate synthase	0.0121	0.152	0.152
Schistosoma mansoni	purine nucleoside phosphorylase	0.0523	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0087	0.0087
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.1668	0.2163
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0171	0.2566	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0415	0.7713	0.7713
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0523	1	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0108	0.1241	0.1241
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0523	1	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0082	0.0688	0.0688
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0108	0.1241	0.1085
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0108	0.1241	0.1241
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0108	0.1241	0.2942
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0523	1	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0415	0.7713	0.7713
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0082	0.0688	0.0688
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.0108	0.1241	0.1241
Schistosoma mansoni	peptidase Clp (S14 family)	0.0082	0.0688	0.0688
Mycobacterium tuberculosis	Hypothetical protein	0.0058	0.0174	0.0174
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0523	1	1
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0108	0.1241	0.1241
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0108	0.1241	1
Brugia malayi	hypothetical protein	0.0058	0.0174	0.0174
Giardia lamblia	Deoxynucleoside kinase	0.041	0.7618	0.728
Entamoeba histolytica	hypothetical protein	0.0108	0.1241	0.5
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0171	0.2566	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0108	0.1241	0.5
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0108	0.1241	0.1085
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0523	1	1
Brugia malayi	uridine phosphorylase family protein	0.0108	0.1241	0.1241
Echinococcus granulosus	thymidylate synthase	0.0121	0.152	0.152
Echinococcus granulosus	purine nucleoside phosphorylase	0.0523	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0523	1	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0108	0.1241	0.5
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0108	0.1241	0.4458
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0082	0.0688	0.5548
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.0523	1	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0688	0.0893
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.0523	1	1
Loa Loa (eye worm)	thymidylate synthase	0.0121	0.152	0.1971
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0121	0.152	0.152
Plasmodium falciparum	purine nucleoside phosphorylase	0.0108	0.1241	0.2942
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0087	0.0113
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0108	0.1241	0.5
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0523	1	1
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0121	0.152	0.152
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0087	0.0087
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0108	0.1241	0.5
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0121	0.152	0.152
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0523	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0523	1	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0108	0.1241	0.1085
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0054	0.0091	0.0091
Echinococcus multilocularis	uridine phosphorylase 1	0.0108	0.1241	0.1241
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0108	0.1241	0.5
Loa Loa (eye worm)	hypothetical protein	0.0415	0.7713	1
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0523	1	1
Treponema pallidum	pfs protein (pfs)	0.0108	0.1241	1
Trichomonas vaginalis	conserved hypothetical protein	0.0108	0.1241	0.1085
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0082	0.0688	0.0688
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.0108	0.1241	0.1241
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0108	0.1241	0.1085
Loa Loa (eye worm)	uridine phosphorylase	0.0108	0.1241	0.1609
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0082	0.0688	0.5548
Echinococcus granulosus	purine nucleoside phosphorylase	0.0523	1	1
Schistosoma mansoni	uridine phosphorylase	0.0108	0.1241	0.1241
Mycobacterium tuberculosis	Hypothetical protein	0.0108	0.1241	0.1241
Brugia malayi	thymidylate synthase	0.0121	0.152	0.152
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0171	0.2566	1
Brugia malayi	Probable ClpP-like protease	0.0082	0.0688	0.0688
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0108	0.1241	0.1241
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0108	0.1241	0.4458
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0108	0.1241	0.1085
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0054	0.0091	0.0091
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0171	0.2566	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0082	0.0688	0.0688
Schistosoma mansoni	purine nucleoside phosphorylase	0.0523	1	1
Echinococcus granulosus	peptidase Clp S14 family	0.0054	0.0091	0.0091
Trichomonas vaginalis	conserved hypothetical protein	0.0108	0.1241	0.1085
Schistosoma mansoni	uridine phosphorylase	0.0108	0.1241	0.1241
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.1668	0.2163
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0108	0.1241	0.4458
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0108	0.1241	0.1241
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0087	0.0113
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0108	0.1241	0.1241
Mycobacterium ulcerans	thymidylate synthase	0.0121	0.152	0.152
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0054	0.0091	0.0091
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.0415	0.7713	0.7713
Toxoplasma gondii	phosphorylase family protein	0.0108	0.1241	0.2942
Brugia malayi	MTAP	0.0108	0.1241	0.1241
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0171	0.2566	1
Mycobacterium leprae	probable uridine phosphorylase	0.0108	0.1241	0.1241
Echinococcus granulosus	uridine phosphorylase 1	0.0108	0.1241	0.1241
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0108	0.1241	0.4458
Toxoplasma gondii	phosphorylase family protein	0.0108	0.1241	0.2942
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0523	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0523	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0523	1	1
Chlamydia trachomatis	AMP nucleosidase	0.0108	0.1241	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0523	1	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0108	0.1241	0.5
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0523	1	1
Treponema pallidum	uridine phosphorylase (udp)	0.0108	0.1241	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0108	0.1241	0.1085
Brugia malayi	MH2 domain containing protein	0.0128	0.1668	0.1668
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0082	0.0688	0.5
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0108	0.1241	0.2942
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0054	0.0091	0.0091
Echinococcus granulosus	purine nucleoside phosphorylase	0.0523	1	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0082	0.0688	0.0688
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0171	0.2566	1
Mycobacterium tuberculosis	Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase	0.0108	0.1241	0.1241
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0108	0.1241	0.4458
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0108	0.1241	0.1085
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0108	0.1241	0.1609

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 4.6 nM	Antagonistic activity against human Tachykinin receptor 1	ChEMBL.	7731011
IC50 (binding)	= 4.6 nM	Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in CHO cells.	ChEMBL.	9804702
IC50 (functional)	= 4.6 nM	Antagonistic activity against human Tachykinin receptor 1	ChEMBL.	7731011
IC50 (binding)	= 4.6 nM	Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in CHO cells.	ChEMBL.	9804702

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: CHEMBL23617
PubChem: 10360490

Bibliographic References

2 literature references were 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 28143