TDR Targets

Basic information

Technical information

TDR Targets ID: 161713
Name: N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-ph enylpropanamide
MW: 338.443 | Formula: C21H26N2O2
H donors: 1 H acceptors: 1 LogP: 3.08 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N[C@H](c1cccc(c1)N1CCOCC1)C)CCc1ccccc1
InChi: 1S/C21H26N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-9,16-17H,10-15H2,1H3,(H,22,24)/t17-/m0/s1
InChiKey: VPNOWZRVJJKANX-KRWDZBQOSA-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-[(1S)-1-(3-morpholinophenyl)ethyl]-3-phenyl-propanamide
N-[(1S)-1-(3-morpholinophenyl)ethyl]-3-phenylpropanamide
N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenyl-propanamide
N-[(1S)-1-(3-morpholinophenyl)ethyl]-3-phenyl-propionamide

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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0922	0.0769
Brugia malayi	Cytochrome P450 family protein	0.0055	0.4549	0.4549
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0024	0.0922	0.0922
Loa Loa (eye worm)	cytochrome P450	0.0017	0.0166	0.0166
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0922	0.0922
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0017	0.0166	0.0166
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0922	0.0922
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0922	0.0922
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0101	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0922	0.0769
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0101	1	1
Plasmodium vivax	RNA helicase-1, putative	0.0101	1	1
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.1172	0.1172
Echinococcus multilocularis	cathepsin L cysteine protease	0.0024	0.0922	0.0769
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0922	0.0769
Trypanosoma cruzi	cruzipain precursor, putative	0.0024	0.0922	0.0922
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0101	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0922	0.0922
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0922	0.0922
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0024	0.0922	0.0922
Trypanosoma brucei	cytochrome P450, putative	0.0026	0.1172	0.1023
Trypanosoma cruzi	cysteine peptidase, putative	0.0024	0.0922	0.0922
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.4549	0.4549
Leishmania major	eukaryotic initiation factor 4a, putative	0.0101	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0024	0.0922	0.0922
Brugia malayi	Cytochrome P450 family protein	0.0026	0.1172	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0922	0.0922
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0922	0.0922
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0101	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0024	0.0922	0.0769
Leishmania major	eukaryotic initiation factor 4a, putative	0.0101	1	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0101	1	1
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0101	1	1
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0101	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0922	0.0769
Trypanosoma cruzi	cysteine peptidase, putative	0.0024	0.0922	0.0922
Schistosoma mansoni	cytochrome P450	0.0017	0.0166	0.0166
Schistosoma mansoni	hypothetical protein	0.0017	0.0166	0.0166
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0922	0.0922
Onchocerca volvulus		0.0024	0.0922	0.0922
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0922	0.0922
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0026	0.1172	1
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0922	0.0922
Leishmania major	cathepsin L-like protease	0.0024	0.0922	0.0769
Leishmania major	cathepsin L-like protease	0.0024	0.0922	0.0769
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0922	0.0922
Brugia malayi	Cytochrome P450 family protein	0.0026	0.1172	0.1172
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0922	0.0922
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0922	0.0922
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0922	0.0769
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0922	0.0922
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0101	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0922	0.0922
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0922	0.0922
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0101	1	1
Onchocerca volvulus		0.0024	0.0922	0.0922
Echinococcus multilocularis	cysteine protease	0.0024	0.0922	0.0769
Onchocerca volvulus	Cathepsin L homolog	0.0024	0.0922	0.0922
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0101	1	1
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0101	1	1
Loa Loa (eye worm)	cysteine protease	0.0024	0.0922	0.0922
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0922	0.0922
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0101	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0024	0.0922	0.0922
Treponema pallidum	ATP-dependent RNA helicase	0.0101	1	0.5
Mycobacterium leprae	putative cytochrome p450	0.0017	0.0166	0.5
Brugia malayi	cytochrome P450	0.0017	0.0166	0.0166
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0024	0.0922	0.0922
Loa Loa (eye worm)	ctsf protein	0.0024	0.0922	0.0922
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0024	0.0922	0.0769
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0024	0.0922	0.0769
Brugia malayi	Papain family cysteine protease containing protein	0.0024	0.0922	0.0922
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0922	0.0922
Loa Loa (eye worm)	hypothetical protein	0.0101	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0922	0.0769
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0922	0.0769
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0101	1	0.5
Onchocerca volvulus		0.0024	0.0922	0.0922
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0922	0.0922
Onchocerca volvulus	Cathepsin F homolog	0.0024	0.0922	0.0922
Schistosoma mansoni	cathepsin F (C01 family)	0.0024	0.0922	0.0922
Leishmania major	cathepsin L-like protease	0.0024	0.0922	0.0769
Leishmania major	cytochrome p450-like protein	0.0026	0.1172	0.1023
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0922	0.0922
Onchocerca volvulus		0.0024	0.0922	0.0922
Leishmania major	cathepsin L-like protease	0.0024	0.0922	0.0769
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0922	0.0922
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0922	0.0769
Onchocerca volvulus	Cathepsin L homolog	0.0024	0.0922	0.0922
Leishmania major	cysteine peptidase A (CPA)	0.0024	0.0922	0.0769
Toxoplasma gondii	cathepsin CPL	0.0024	0.0922	0.0769
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0922	0.0922
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0017	0.0166	0.0166
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0922	0.0922
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0922	0.0922
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0922	0.0922
Loa Loa (eye worm)	CYP4Cod1	0.0026	0.1172	0.1172
Schistosoma mansoni	cathepsin F (C01 family)	0.0024	0.0922	0.0922
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0101	1	1
Entamoeba histolytica	cysteine protease, putative	0.0024	0.0922	0.0922
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0922	0.0922
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0922	0.0769
Mycobacterium leprae	Conserved hypothetical protein	0.0017	0.0166	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.1172	0.1172
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0922	0.0769
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0101	1	1
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.1172	0.1172
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0024	0.0922	0.0922
Loa Loa (eye worm)	fibroinase	0.0024	0.0922	0.0922
Leishmania major	cathepsin L-like protease	0.0024	0.0922	0.0769
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0101	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0024	0.0922	0.0922
Leishmania major	cathepsin L-like protease	0.0024	0.0922	0.0769
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0024	0.0922	0.0922
Onchocerca volvulus		0.0024	0.0922	0.0922
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0024	0.0922	0.0922
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0922	0.0922
Brugia malayi	Cathepsin L-like precursor	0.0024	0.0922	0.0922
Echinococcus granulosus	cytochrome P450 2K1	0.0017	0.0166	0.0166
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0101	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0024	0.0922	0.0922
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.1172	0.1172
Echinococcus multilocularis	cysteine protease	0.0024	0.0922	0.0769
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0024	0.0922	0.0922
Leishmania major	cathepsin L-like protease	0.0024	0.0922	0.0769
Onchocerca volvulus		0.0024	0.0922	0.0922
Echinococcus granulosus	cathepsin l1	0.0024	0.0922	0.0922
Brugia malayi	Cytochrome P450 family protein	0.0017	0.0166	0.0166
Leishmania major	cathepsin L-like protease	0.0024	0.0922	0.0769
Entamoeba histolytica	cysteine proteinase, putative	0.0024	0.0922	0.0922
Onchocerca volvulus		0.0024	0.0922	0.0922
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0024	0.0922	0.0769
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0101	1	1
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0017	0.0166	0.0166

Activities

Activity type	Activity value	Assay description	Source	Reference
Control (functional)	= 105 %	Ability to open cloned mKCNQ2 channel expressed in Xenopus laevis oocytes at 10 uM expressed as percent of compound-free control current at -40 mV	ChEMBL.	15139767
Control (functional)	= 105 %	Ability to open cloned mKCNQ2 channel expressed in Xenopus laevis oocytes at 10 uM expressed as percent of compound-free control current at -40 mV	ChEMBL.	15139767

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

PubChem: 11186795

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 161713