TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 342.313 | Formula: C16H17F3N2O3
H donors: 0 H acceptors: 1 LogP: 2.32 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)C(=O)/C=C/c1cc2OCOc2c(c1)C(F)(F)F
InChi: 1S/C16H17F3N2O3/c1-20-4-6-21(7-5-20)14(22)3-2-11-8-12(16(17,18)19)15-13(9-11)23-10-24-15/h2-3,8-9H,4-7,10H2,1H3/b3-2+
InChiKey: ZCGZAKYLHDSUTH-NSCUHMNNSA-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

No synonyms found for this compound

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	0.0623	0.1534	0.503
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0529	0.1142	0.3519
Brugia malayi	Cathepsin L-like precursor	0.0529	0.1142	0.0934
Giardia lamblia	Cathepsin B precursor	0.0933	0.2822	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0623	0.1534	0.503
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0623	0.1534	0.503
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2658	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0529	0.1142	0.3519
Leishmania major	cathepsin L-like protease	0.0623	0.1534	0.2332
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0529	0.1142	0.0934
Loa Loa (eye worm)	hypothetical protein	0.0529	0.1142	0.0656
Brugia malayi	Cathepsin L-like precursor	0.0529	0.1142	0.0934
Brugia malayi	Cathepsin L-like precursor	0.0529	0.1142	0.0934
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0529	0.1142	0.3519
Onchocerca volvulus		0.0529	0.1142	1
Brugia malayi	Cathepsin L-like precursor	0.038	0.052	0.0297
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0529	0.1142	0.3519
Onchocerca volvulus		0.0529	0.1142	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0529	0.1142	0.3519
Entamoeba histolytica	cysteine proteinase, putative	0.0529	0.1142	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0529	0.1142	0.0934
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0933	0.2822	0.2822
Brugia malayi	Cathepsin L-like precursor	0.0529	0.1142	0.0934
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0623	0.1534	0.503
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.038	0.052	0.112
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0529	0.1142	0.3519
Trypanosoma cruzi	cysteine proteinase, putative	0.031	0.023	0.023
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0529	0.1142	0.3519
Echinococcus granulosus	cathepsin l1	0.038	0.052	0.0297
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0933	0.2822	0.2653
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0529	0.1142	0.3519
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0933	0.2822	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0623	0.1534	0.1534
Onchocerca volvulus		0.0529	0.1142	1
Echinococcus granulosus	cathepsin l1	0.0529	0.1142	0.0934
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0529	0.1142	0.0656
Onchocerca volvulus		0.0529	0.1142	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0529	0.1142	0.3519
Echinococcus multilocularis	cysteine protease	0.0529	0.1142	0.0934
Brugia malayi	Cathepsin L-like precursor	0.038	0.052	0.0297
Entamoeba histolytica	cysteine proteinase, putative	0.0529	0.1142	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0529	0.1142	0.3519
Loa Loa (eye worm)	ctsf protein	0.0529	0.1142	0.0656
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0529	0.1142	0.3519
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.038	0.052	0.112
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0529	0.1142	0.3519
Giardia lamblia	Cathepsin B precursor	0.0933	0.2822	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0529	0.1142	0.3519
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0529	0.1142	0.3519
Brugia malayi	Cathepsin L-like cysteine proteinase	0.038	0.052	0.0297
Trypanosoma cruzi	cysteine peptidase, putative	0.0529	0.1142	0.1142
Schistosoma mansoni	cathepsin F (C01 family)	0.0529	0.1142	0.0934
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0529	0.1142	0.0934
Leishmania major	cathepsin L-like protease	0.0623	0.1534	0.2332
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0529	0.1142	0.3519
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.031	0.023	0.023
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0623	0.1534	0.503
Loa Loa (eye worm)	cysteine protease	0.0529	0.1142	0.0656
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0529	0.1142	0.3519
Trypanosoma cruzi	cysteine peptidase, putative	0.0623	0.1534	0.1534
Giardia lamblia	Cathepsin B precursor	0.0933	0.2822	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0529	0.1142	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0529	0.1142	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0623	0.1534	0.503
Plasmodium vivax	vivapain-2	0.0529	0.1142	1
Trypanosoma cruzi	cysteine proteinase, putative	0.031	0.023	0.023
Plasmodium vivax	vivapain-2	0.0529	0.1142	1
Leishmania major	cathepsin L-like protease	0.0623	0.1534	0.2332
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0529	0.1142	0.0656
Schistosoma mansoni	cathepsin F (C01 family)	0.038	0.052	0.0297
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0529	0.1142	0.3519
Brugia malayi	Cathepsin L-like precursor	0.0529	0.1142	0.0934
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0623	0.1534	0.503
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0529	0.1142	0.3519
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.2658	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0623	0.1534	0.503
Onchocerca volvulus		0.0529	0.1142	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0529	0.1142	0.0934
Entamoeba histolytica	cysteine proteinase, putative	0.038	0.052	0.3182
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0529	0.1142	1
Loa Loa (eye worm)	fibroinase	0.0529	0.1142	0.0656
Onchocerca volvulus	Cathepsin F homolog	0.0529	0.1142	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0474	0.0912	0.0912
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0529	0.1142	0.3519
Toxoplasma gondii	cathepsin B	0.0933	0.2822	1
Onchocerca volvulus	Cathepsin L homolog	0.0529	0.1142	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0529	0.1142	0.3519
Brugia malayi	Cathepsin L-like precursor	0.0529	0.1142	0.0934
Schistosoma mansoni	cathepsin F (C01 family)	0.0529	0.1142	0.0934
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0529	0.1142	0.3519
Echinococcus multilocularis	cathepsin L cysteine protease	0.0529	0.1142	0.0934
Loa Loa (eye worm)	cathepsin B	0.0933	0.2822	0.2428
Trypanosoma cruzi	cysteine peptidase, putative	0.031	0.023	0.023
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0529	0.1142	0.3519
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2658	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.2658	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0529	0.1142	0.3519
Echinococcus multilocularis	cathepsin b	0.2658	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2658	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0623	0.1534	0.503
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0529	0.1142	0.3519
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0623	0.1534	0.503
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0529	0.1142	0.3519
Onchocerca volvulus		0.0529	0.1142	1
Brugia malayi	cathepsin L-like precursor	0.038	0.052	0.0297
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0529	0.1142	0.0934
Echinococcus multilocularis	cathepsin b	0.2658	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0933	0.2822	1
Entamoeba histolytica	cysteine protease, putative	0.0529	0.1142	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0933	0.2822	1
Trypanosoma cruzi	cysteine protease, putative	0.031	0.023	0.023
Onchocerca volvulus	Cathepsin L homolog	0.0529	0.1142	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0623	0.1534	0.503
Trypanosoma cruzi	cruzipain precursor, putative	0.0623	0.1534	0.1534
Onchocerca volvulus		0.0529	0.1142	1
Brugia malayi	Papain family cysteine protease containing protein	0.0529	0.1142	0.0934
Echinococcus granulosus	cathepsin b	0.2658	1	1
Echinococcus multilocularis	cysteine protease	0.0529	0.1142	0.0934
Trypanosoma cruzi	cysteine peptidase, putative	0.0623	0.1534	0.1534
Loa Loa (eye worm)	hypothetical protein	0.2658	1	1
Echinococcus granulosus	cathepsin b	0.2658	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 24 %	Antidepressant activity in C57BL/6 mouse assessed as decrease in immobility duration at 10 mg/kg, ig by tail suspension test	ChEMBL.	25442321

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: CHEMBL3338656

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 933526