TDR Targets

Basic information

Technical information

TDR Targets ID: 409256
Name: N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-m ethyl-2-pyridin-3-yloxypropanamide
MW: 422.947 | Formula: C25H27ClN2O2
H donors: 1 H acceptors: 2 LogP: 5.52 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CC(C(c1ccccc1)Cc1ccc(cc1)Cl)NC(=O)C(Oc1cccnc1)(C)C
InChi: 1S/C25H27ClN2O2/c1-18(28-24(29)25(2,3)30-22-10-7-15-27-17-22)23(20-8-5-4-6-9-20)16-19-11-13-21(26)14-12-19/h4-15,17-18,23H,16H2,1-3H3,(H,28,29)
InChiKey: ABWAPQAPTFRUHD-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

N-[3-(4-chlorophenyl)-1-methyl-2-phenyl-propyl]-2-methyl-2-(3-pyridyloxy)propanamide
N-[3-(4-chlorophenyl)-1-methyl-2-phenylpropyl]-2-methyl-2-(3-pyridyloxy)propanamide
N-[4-(4-chlorophenyl)-3-phenyl-butan-2-yl]-2-methyl-2-pyridin-3-yloxy-propanamide
N-[3-(4-chlorophenyl)-1-methyl-2-phenyl-propyl]-2-methyl-2-(3-pyridyloxy)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
Onchocerca volvulus		0.027	0.4455	0.3908
Toxoplasma gondii	cathepsin CPL	0.021	0.2819	0.5
Brugia malayi	Cathepsin L-like precursor	0.021	0.2819	0.2819
Trypanosoma cruzi	cruzipain precursor, putative	0.021	0.2819	1
Onchocerca volvulus	Cathepsin L homolog	0.021	0.2819	0.2111
Brugia malayi	Cathepsin L-like precursor	0.021	0.2819	0.2819
Loa Loa (eye worm)	hypothetical protein	0.027	0.4455	0.3908
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.021	0.2819	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.2819	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.2819	1
Brugia malayi	LBP/BPI	0.0201	0.2551	0.2551
Leishmania major	cathepsin L-like protease	0.021	0.2819	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.021	0.2819	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.0897	0.3182
Onchocerca volvulus		0.047	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.2819	1
Onchocerca volvulus		0.021	0.2819	0.2111
Loa Loa (eye worm)	hypothetical protein	0.027	0.4455	0.3908
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.2819	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.021	0.2819	1
Onchocerca volvulus		0.047	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.021	0.2819	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.2819	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.2819	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.021	0.2819	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0141	0.0897	0.3182
Echinococcus granulosus	cathepsin l cysteine peptidase	0.021	0.2819	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.2819	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.2819	1
Loa Loa (eye worm)	hypothetical protein	0.0201	0.2551	0.1817
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.2819	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.2819	1
Leishmania major	cysteine peptidase A (CPA)	0.021	0.2819	0.5
Brugia malayi	Cathepsin L-like precursor	0.021	0.2819	0.2819
Onchocerca volvulus		0.0201	0.2551	0.1817
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0141	0.0897	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.2819	1
Trypanosoma cruzi	cysteine peptidase, putative	0.021	0.2819	1
Echinococcus multilocularis	cysteine protease	0.021	0.2819	1
Plasmodium vivax	vivapain-2	0.021	0.2819	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.2819	1
Loa Loa (eye worm)	hypothetical protein	0.0201	0.2551	0.1817
Schistosoma mansoni	cathepsin F (C01 family)	0.021	0.2819	1
Onchocerca volvulus		0.027	0.4455	0.3908
Brugia malayi	Cathepsin L-like precursor	0.021	0.2819	0.2819
Onchocerca volvulus		0.021	0.2819	0.2111
Loa Loa (eye worm)	ctsf protein	0.021	0.2819	0.2111
Onchocerca volvulus		0.021	0.2819	0.2111
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.2819	1
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.027	0.4455	0.3908
Onchocerca volvulus		0.047	1	1
Leishmania major	cathepsin L-like protease	0.021	0.2819	0.5
Leishmania major	cathepsin L-like protease	0.021	0.2819	0.5
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.047	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.2819	1
Leishmania major	cathepsin L-like protease	0.021	0.2819	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.2819	1
Leishmania major	cathepsin L-like protease	0.021	0.2819	0.5
Brugia malayi	hypothetical protein	0.0201	0.2551	0.2551
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.027	0.4455	0.4455
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.0897	0.3182
Brugia malayi	Cathepsin L-like precursor	0.021	0.2819	0.2819
Onchocerca volvulus		0.047	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.2819	1
Echinococcus multilocularis	cysteine protease	0.021	0.2819	1
Onchocerca volvulus		0.021	0.2819	0.2111
Onchocerca volvulus		0.021	0.2819	0.2111
Onchocerca volvulus		0.021	0.2819	0.2111
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.2819	1
Onchocerca volvulus	Cathepsin F homolog	0.021	0.2819	0.2111
Schistosoma mansoni	cathepsin F (C01 family)	0.021	0.2819	1
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.047	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.2819	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.2819	1
Brugia malayi	hypothetical protein	0.027	0.4455	0.4455
Entamoeba histolytica	cysteine proteinase, putative	0.021	0.2819	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.2819	1
Onchocerca volvulus		0.047	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.021	0.2819	1
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.027	0.4455	0.4455
Leishmania major	cathepsin L-like protease	0.021	0.2819	0.5
Plasmodium vivax	vivapain-2	0.021	0.2819	1
Loa Loa (eye worm)	hypothetical protein	0.027	0.4455	0.3908
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0141	0.0897	0.0897
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.2819	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.2819	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.2819	1
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.047	1	1
Brugia malayi	cathepsin L-like precursor	0.0141	0.0897	0.0897
Loa Loa (eye worm)	hypothetical protein	0.0201	0.2551	0.1817
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.2819	1
Onchocerca volvulus		0.021	0.2819	0.2111
Onchocerca volvulus		0.047	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.021	0.2819	0.2819
Brugia malayi	hypothetical protein	0.027	0.4455	0.4455
Onchocerca volvulus		0.047	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.2819	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.2819	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.021	0.2819	1
Loa Loa (eye worm)	fibroinase	0.021	0.2819	0.2111
Echinococcus granulosus	cathepsin l1	0.0141	0.0897	0.3182
Echinococcus multilocularis	cathepsin L cysteine protease	0.021	0.2819	1
Entamoeba histolytica	cysteine proteinase, putative	0.0141	0.0897	0.3182
Loa Loa (eye worm)	hypothetical protein	0.027	0.4455	0.3908
Echinococcus granulosus	cathepsin l1	0.021	0.2819	1
Onchocerca volvulus		0.047	1	1
Brugia malayi	Cathepsin L-like precursor	0.021	0.2819	0.2819
Leishmania major	cathepsin L-like protease	0.021	0.2819	0.5
Onchocerca volvulus	Cathepsin L homolog	0.021	0.2819	0.2111
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.027	0.4455	0.4455
Entamoeba histolytica	cysteine proteinase, putative	0.021	0.2819	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.021	0.2819	0.2111
Trichomonas vaginalis	conserved hypothetical protein	0.0201	0.2551	0.9049
Loa Loa (eye worm)	hypothetical protein	0.021	0.2819	0.2111
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.2819	1
Trypanosoma cruzi	cysteine peptidase, putative	0.021	0.2819	1
Brugia malayi	Cathepsin L-like precursor	0.0141	0.0897	0.0897
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.2819	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.2819	1
Loa Loa (eye worm)	hypothetical protein	0.027	0.4455	0.3908
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.021	0.2819	0.2111
Leishmania major	cathepsin L-like protease	0.021	0.2819	0.5
Brugia malayi	Cathepsin L-like precursor	0.0141	0.0897	0.0897
Trypanosoma cruzi	cysteine peptidase, putative	0.021	0.2819	1
Entamoeba histolytica	cysteine protease, putative	0.021	0.2819	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.2819	1
Trypanosoma cruzi	cysteine peptidase, putative	0.021	0.2819	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.2819	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.2819	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.2819	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.2819	1
Loa Loa (eye worm)	cysteine protease	0.021	0.2819	0.2111
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.021	0.2819	1
Loa Loa (eye worm)	hypothetical protein	0.0201	0.2551	0.1817
Loa Loa (eye worm)	hypothetical protein	0.047	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.021	0.2819	1
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.027	0.4455	0.3908

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 19 nM	Inhibition of [3H]CP55940 binding to human recombinant CB1 receptor in CHO cells	ChEMBL.	17181138

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: 464968
PubChem: 10310057

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 409256