TDR Targets

Basic information

Technical information

TDR Targets ID: 109273
Name: 1-[2-[4-(7-methoxy-3-phenyl-3,4-dihydro-2H-ch romen-4-yl)phenoxy]ethyl]piperidine
MW: 443.577 | Formula: C29H33NO3
H donors: 0 H acceptors: 0 LogP: 5.95 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)OCC(C2c1ccc(cc1)OCCN1CCCCC1)c1ccccc1
InChi: 1S/C29H33NO3/c1-31-25-14-15-26-28(20-25)33-21-27(22-8-4-2-5-9-22)29(26)23-10-12-24(13-11-23)32-19-18-30-16-6-3-7-17-30/h2,4-5,8-15,20,27,29H,3,6-7,16-19,21H2,1H3
InChiKey: GOCOLXIVFQWUBL-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

1-[2-[4-(7-methoxy-3-phenyl-chroman-4-yl)phenoxy]ethyl]piperidine
1-[2-[4-(7-methoxy-3-phenyl-3,4-dihydro-2H-1-benzopyran-4-yl)phenoxy]ethyl]piperidine
1-[2-[4-(7-methoxy-3-phenylchroman-4-yl)phenoxy]ethyl]piperidine
1-[2-[4-(7-methoxy-3-phenyl-4-chromanyl)phenoxy]ethyl]piperidine

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
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0344	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0024	0.0087	0.0087
Schistosoma mansoni	cathepsin F (C01 family)	0.0024	0.0087	0.0087
Echinococcus multilocularis	cysteine protease	0.0024	0.0087	0.0087
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0024	0.0087	0.0087
Echinococcus multilocularis	cathepsin L cysteine protease	0.0024	0.0087	0.0087
Onchocerca volvulus		0.0024	0.0087	0.0157
Onchocerca volvulus		0.0024	0.0087	0.0157
Echinococcus multilocularis	cathepsin L cysteine protease	0.0024	0.0087	0.0087
Onchocerca volvulus		0.02	0.5546	1
Trypanosoma brucei	ornithine decarboxylase	0.0177	0.4839	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0024	0.0087	0.0179
Loa Loa (eye worm)	hypothetical protein	0.02	0.5546	0.5546
Trypanosoma cruzi	cysteine peptidase, putative	0.0024	0.0087	0.5
Trypanosoma cruzi	cruzipain precursor, putative	0.0024	0.0087	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0024	0.0087	0.5
Onchocerca volvulus		0.02	0.5546	1
Plasmodium vivax	S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative	0.0177	0.4839	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0024	0.0087	0.5
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0024	0.0087	0.0087
Trichomonas vaginalis	pyridoxal-dependent decarboxylase, putative	0.0177	0.4839	1
Onchocerca volvulus		0.0024	0.0087	0.0157
Onchocerca volvulus		0.02	0.5546	1
Trichomonas vaginalis	ornithine decarboxylase, putative	0.0177	0.4839	1
Loa Loa (eye worm)	pyridoxal-dependent decarboxylase	0.0177	0.4839	0.4839
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0024	0.0087	0.0087
Onchocerca volvulus		0.0177	0.4839	0.8725
Onchocerca volvulus		0.0024	0.0087	0.0157
Schistosoma mansoni	tyrosinase precursor	0.02	0.5546	0.5546
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0024	0.0087	0.0179
Schistosoma mansoni	tyrosinase precursor	0.02	0.5546	0.5546
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0087	0.0087
Giardia lamblia	Ornithine decarboxylase	0.0177	0.4839	0.5
Plasmodium falciparum	S-adenosylmethionine decarboxylase/ornithine decarboxylase	0.0177	0.4839	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.02	0.5546	0.5546
Schistosoma mansoni	cathepsin F (C01 family)	0.0024	0.0087	0.0087
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0087	0.0087
Loa Loa (eye worm)	ShTK domain-containing protein	0.02	0.5546	0.5546
Trichomonas vaginalis	diaminopimelate decarboxylase, putative	0.0177	0.4839	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0024	0.0087	0.0179
Onchocerca volvulus		0.02	0.5546	1
Trichomonas vaginalis	ornithine decarboxylase, putative	0.0063	0.13	0.2554
Loa Loa (eye worm)	ctsf protein	0.0024	0.0087	0.0087
Brugia malayi	Papain family cysteine protease containing protein	0.0024	0.0087	0.0087
Mycobacterium leprae	PROBABLE DIAMINOPIMELATE DECARBOXYLASE LYSA (DAP DECARBOXYLASE)	0.0068	0.1458	0.5
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0024	0.0087	0.0087
Toxoplasma gondii	diaminopimelate decarboxylase	0.0177	0.4839	1
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.1458	0.2886
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.02	0.5546	0.5546
Trichomonas vaginalis	diaminopimelate decarboxylase, putative	0.0177	0.4839	1
Loa Loa (eye worm)	hypothetical protein	0.02	0.5546	0.5546
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.02	0.5546	0.5546
Onchocerca volvulus	Cathepsin L homolog	0.0024	0.0087	0.0157
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0087	0.0087
Echinococcus granulosus	cathepsin l1	0.0024	0.0087	0.0087
Brugia malayi	Common central domain of tyrosinase family protein	0.02	0.5546	0.5546
Mycobacterium tuberculosis	Diaminopimelate decarboxylase LysA (DAP decarboxylase)	0.0177	0.4839	0.5
Brugia malayi	ShTK domain containing protein	0.02	0.5546	0.5546
Onchocerca volvulus		0.0024	0.0087	0.0157
Loa Loa (eye worm)	fibroinase	0.0024	0.0087	0.0087
Mycobacterium ulcerans	diaminopimelate decarboxylase LysA	0.0177	0.4839	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0024	0.0087	0.0157
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0087	0.0087
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0344	1	1
Plasmodium vivax	vivapain-2	0.0024	0.0087	0.0179
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0087	0.0087
Echinococcus multilocularis	cysteine protease	0.0024	0.0087	0.0087
Brugia malayi	Pyridoxal-dependent decarboxylase, pyridoxal binding domain containing protein	0.0177	0.4839	0.4839
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0024	0.0087	0.0087
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0087	0.0087
Onchocerca volvulus		0.0024	0.0087	0.0157
Trichomonas vaginalis	ornithine decarboxylase, putative	0.0177	0.4839	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.02	0.5546	0.5546
Trypanosoma cruzi	cysteine peptidase, putative	0.0024	0.0087	0.5
Leishmania major	ornithine decarboxylase, putative	0.0177	0.4839	1
Loa Loa (eye worm)	tyrosinase 1	0.02	0.5546	0.5546
Plasmodium vivax	vivapain-2	0.0024	0.0087	0.0179
Onchocerca volvulus		0.0024	0.0087	0.0157
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0087	0.0087
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0344	1	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.02	0.5546	0.5546
Onchocerca volvulus	Cathepsin F homolog	0.0024	0.0087	0.0157
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0344	1	1
Entamoeba histolytica	ornithine decarboxylase, putative	0.0177	0.4839	1
Loa Loa (eye worm)	cysteine protease	0.0024	0.0087	0.0087

Activities

Activity type	Activity value	Assay description	Source	Reference
MED100 (functional)	= 0.25 mg kg-1	Antifertility activity at maximal effective dose in adult female rat in an antiestrogen assay	ChEMBL.	No reference
RBA (binding)	= 1.45	Relative Binding Affinity (RBA) for estrogen receptor in ovariectomized rats	ChEMBL.	No reference
RBA (binding)	= 1.45	Relative Binding Affinity (RBA) for estrogen receptor in ovariectomized rats	ChEMBL.	No reference

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: CHEMBL67909
PubChem: 18355577

Bibliographic References

No literature references available for this target.

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Detailed information for compound 109273