TDR Targets

Basic information

Technical information

TDR Targets ID: 1359365
Name: N-(2-furan-2-yl-2-pyrrolidin-1-ylethyl)-2-[3- (trifluoromethyl)phenoxy]acetamide
MW: 382.377 | Formula: C19H21F3N2O3
H donors: 1 H acceptors: 1 LogP: 3.28 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(COc1cccc(c1)C(F)(F)F)NCC(c1ccco1)N1CCCC1
InChi: 1S/C19H21F3N2O3/c20-19(21,22)14-5-3-6-15(11-14)27-13-18(25)23-12-16(17-7-4-10-26-17)24-8-1-2-9-24/h3-7,10-11,16H,1-2,8-9,12-13H2,(H,23,25)
InChiKey: PWZWTKRGZUWHKP-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

N-[2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
N-[2-(2-furyl)-2-1-pyrrolidinylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
N-(2-furan-2-yl-2-pyrrolidin-1-yl-ethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamide
T5606432

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	l(3)mbt-like 1 (Drosophila)	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 4 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Echinococcus granulosus	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 3 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Echinococcus multilocularis	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130415	All targets in OG5_130415

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
Brugia malayi	cathepsin B-like cysteine proteinase	0.0186	0.4246	1
Loa Loa (eye worm)	cysteine protease	0.0124	0.2047	0.4822
Plasmodium vivax	vivapain-2	0.0124	0.2047	0.9727
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.2047	0.9727
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0125	0.2098	1
Trichomonas vaginalis	histone deacetylase, putative	0.0125	0.2098	1
Loa Loa (eye worm)	cathepsin B	0.0078	0.043	0.1012
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.2047	0.9727
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124	0.2047	0.9727
Trypanosoma cruzi	histone deacetylase 1, putative	0.0125	0.2098	0.4622
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0078	0.043	0.0446
Trichomonas vaginalis	histone deacetylase, putative	0.0125	0.2098	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124	0.2047	0.9727
Schistosoma mansoni	cathepsin F (C01 family)	0.0124	0.2047	0.2047
Loa Loa (eye worm)	hypothetical protein	0.008	0.0517	0.1217
Entamoeba histolytica	histone deacetylase, putative	0.0125	0.2098	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0125	0.2098	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0186	0.4246	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.008	0.0517	0.1217
Schistosoma mansoni	cathepsin F (C01 family)	0.008	0.0517	0.0517
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.2047	0.9727
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.2047	0.9727
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.2047	0.9727
Leishmania major	cathepsin L-like protease	0.0124	0.2047	0.9697
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.2047	0.9727
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0124	0.2047	0.361
Trypanosoma cruzi	cysteine peptidase, putative	0.0124	0.2047	0.4496
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0078	0.043	0.0965
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.2047	0.9727
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.2047	0.9727
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0073	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0124	0.2047	0.4822
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0186	0.4246	0.4246
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124	0.2047	0.9727
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0125	0.2098	1
Onchocerca volvulus		0.0124	0.2047	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0124	0.2047	0.9727
Brugia malayi	Papain family cysteine protease containing protein	0.0124	0.2047	0.4822
Leishmania major	cathepsin L-like protease	0.0124	0.2047	0.9697
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0186	0.4246	0.4246
Entamoeba histolytica	cysteine proteinase, putative	0.0124	0.2047	0.9727
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0124	0.2047	0.9727
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.2047	0.9727
Onchocerca volvulus	Cathepsin L homolog	0.0124	0.2047	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0124	0.2047	0.361
Onchocerca volvulus		0.0124	0.2047	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.2047	0.9727
Entamoeba histolytica	cysteine proteinase, putative	0.008	0.0517	0.1437
Leishmania major	cysteine peptidase A (CPA)	0.0124	0.2047	0.9697
Echinococcus multilocularis	cysteine protease	0.0124	0.2047	0.361
Trichomonas vaginalis	histone deacetylase, putative	0.0125	0.2098	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0124	0.2047	0.361
Echinococcus granulosus	histone deacetylase 1	0.0125	0.2098	0.3699
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124	0.2047	0.9727
Onchocerca volvulus		0.0124	0.2047	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0124	0.2047	0.9727
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.2047	0.9727
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0073	0.0252	0.0252
Brugia malayi	Histone deacetylase 1	0.0125	0.2098	0.4941
Brugia malayi	Cathepsin L-like precursor	0.008	0.0517	0.1217
Leishmania major	cathepsin L-like protease	0.0124	0.2047	0.9697
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.2047	0.9727
Echinococcus granulosus	cathepsin b	0.0186	0.4246	0.7486
Echinococcus multilocularis	cathepsin L cysteine protease	0.0124	0.2047	0.361
Brugia malayi	Cathepsin L-like precursor	0.0124	0.2047	0.4822
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.2047	0.9727
Onchocerca volvulus		0.0124	0.2047	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.0517	0.1437
Toxoplasma gondii	histone deacetylase HDAC2	0.0125	0.2098	1
Plasmodium falciparum	histone deacetylase 1	0.0125	0.2098	1
Entamoeba histolytica	cysteine protease, putative	0.0124	0.2047	0.9727
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.2047	0.9727
Loa Loa (eye worm)	hypothetical protein	0.008	0.0517	0.1217
Echinococcus multilocularis	cathepsin b	0.0186	0.4246	0.7486
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0186	0.4246	0.4246
Trypanosoma cruzi	cysteine peptidase, putative	0.0124	0.2047	0.4496
Toxoplasma gondii	cathepsin CPL	0.0124	0.2047	0.9697
Echinococcus granulosus	cathepsin b	0.0186	0.4246	0.7486
Brugia malayi	Papain family cysteine protease containing protein	0.0073	0.0252	0.0592
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0078	0.043	0.043
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.2047	0.9727
Echinococcus multilocularis	cathepsin b	0.0186	0.4246	0.7486
Trypanosoma cruzi	cruzipain precursor, putative	0.0124	0.2047	0.4496
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.2047	0.9727
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124	0.2047	0.9727
Schistosoma mansoni	histone deacetylase	0.0125	0.2098	0.2098
Brugia malayi	Papain family cysteine protease containing protein	0.0073	0.0252	0.0592
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0124	0.2047	0.9727
Echinococcus granulosus	cathepsin L cysteine protease	0.0073	0.0252	0.0444
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124	0.2047	0.9727
Loa Loa (eye worm)	histone deacetylase 1	0.0125	0.2098	0.4941
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0124	0.2047	0.4822
Loa Loa (eye worm)	histone deacetylase 3	0.0125	0.2098	0.4941
Trichomonas vaginalis	histone deacetylase, putative	0.0125	0.2098	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0124	0.2047	0.361
Brugia malayi	Cathepsin L-like precursor	0.0124	0.2047	0.4822
Onchocerca volvulus		0.0124	0.2047	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124	0.2047	0.9727
Leishmania major	histone deacetylase, putative	0.0125	0.2098	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.2047	0.9727
Entamoeba histolytica	cysteine proteinase, putative	0.0124	0.2047	0.9727
Plasmodium vivax	vivapain-2	0.0124	0.2047	0.9727
Brugia malayi	histone deacetylase 1 (HD1)	0.0125	0.2098	0.4941
Leishmania major	cathepsin L-like protease	0.0124	0.2047	0.9697
Onchocerca volvulus		0.0124	0.2047	1
Schistosoma mansoni	histone deacetylase	0.0125	0.2098	0.2098
Brugia malayi	histone deacetylase 3 (HD3)	0.0125	0.2098	0.4941
Trypanosoma cruzi	cysteine peptidase, putative	0.0124	0.2047	0.4496
Loa Loa (eye worm)	ctsf protein	0.0124	0.2047	0.4822
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.2047	0.9727
Brugia malayi	Cathepsin L-like precursor	0.0124	0.2047	0.4822
Echinococcus multilocularis	cysteine protease	0.0124	0.2047	0.361
Schistosoma mansoni	cathepsin F (C01 family)	0.0124	0.2047	0.2047
Onchocerca volvulus		0.0124	0.2047	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0124	0.2047	0.4496
Echinococcus multilocularis	cathepsin L	0.0073	0.0252	0.0444
Echinococcus granulosus	histone deacetylase 3	0.0125	0.2098	0.3699
Onchocerca volvulus	Cathepsin L homolog	0.0124	0.2047	1
Leishmania major	cathepsin L-like protease	0.0124	0.2047	0.9697
Leishmania major	cathepsin L-like protease	0.0124	0.2047	0.9697
Echinococcus multilocularis	histone deacetylase 1	0.0125	0.2098	0.3699
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124	0.2047	0.9727
Trypanosoma brucei	histone deacetylase 1	0.0125	0.2098	1
Loa Loa (eye worm)	fibroinase	0.0124	0.2047	0.4822
Onchocerca volvulus	Cathepsin F homolog	0.0124	0.2047	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.2047	0.9727
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.2047	0.9727
Echinococcus granulosus	cathepsin l1	0.0124	0.2047	0.361
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.2047	0.9727
Echinococcus granulosus	cathepsin l1	0.008	0.0517	0.0911
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.008	0.0517	0.0664
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0078	0.043	0.0965
Leishmania major	cathepsin L-like protease	0.0124	0.2047	0.9697
Plasmodium vivax	histone deacetylase 1, putative	0.0125	0.2098	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124	0.2047	0.9727
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.2047	0.9727
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0124	0.2047	0.9727
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124	0.2047	0.9727
Echinococcus granulosus	cysteine protease	0.0073	0.0252	0.0444
Giardia lamblia	Histone deacetylase	0.0125	0.2098	1
Echinococcus multilocularis	histone deacetylase 3	0.0125	0.2098	0.3699
Echinococcus granulosus	cathepsin L	0.0073	0.0252	0.0444
Toxoplasma gondii	histone deacetylase HDAC3	0.0125	0.2098	1
Brugia malayi	Cathepsin L-like precursor	0.0124	0.2047	0.4822
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0124	0.2047	0.361
Brugia malayi	cathepsin L-like precursor	0.008	0.0517	0.1217
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0227	0.5672	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0124	0.2047	0.4822
Trichomonas vaginalis	histone deacetylase, putative	0.0125	0.2098	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0227	0.5672	1
Brugia malayi	Cathepsin L-like precursor	0.0124	0.2047	0.4822
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0186	0.4246	0.4246
Brugia malayi	Cathepsin L-like precursor	0.008	0.0517	0.1217
Loa Loa (eye worm)	hypothetical protein	0.0186	0.4246	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.008	0.0517	0.1437
Trypanosoma cruzi	histone deacetylase 1, putative	0.0125	0.2098	0.4622
Trichomonas vaginalis	histone deacetylase, putative	0.0125	0.2098	1
Leishmania major	cathepsin L-like protease	0.0124	0.2047	0.9697
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.2047	0.9727
Leishmania major	histone deacetylase, putative	0.0125	0.2098	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.2047	0.9727
Loa Loa (eye worm)	hypothetical protein	0.0125	0.2098	0.4941
Brugia malayi	Cathepsin L-like precursor	0.0124	0.2047	0.4822
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0073	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.008	0.0517	0.1217

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1474107

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1359365