TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 376.372 | Formula: C20H19F3N2O2
H donors: 1 H acceptors: 1 LogP: 5.01 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCC(c1ccccc1)NCc1coc(n1)c1ccc(cc1)OC(F)(F)F
InChi: 1S/C20H19F3N2O2/c1-2-18(14-6-4-3-5-7-14)24-12-16-13-26-19(25-16)15-8-10-17(11-9-15)27-20(21,22)23/h3-11,13,18,24H,2,12H2,1H3
InChiKey: OHEKMQLJYZQYFB-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

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
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0368	0.1651
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0671	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0567	0.2543
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0576	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0552	0.2476
Plasmodium vivax	proline--tRNA ligase, putative	0.0036	0.0671	0.051
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0576	0.8107
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0576	0.8107
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0368	0.395
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0368	0.1651
Entamoeba histolytica	hypothetical protein	0.0039	0.0725	1
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0552	0.2476
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0032	0.0567	0.2543
Leishmania major	protein kinase, putative	0.0032	0.0567	0.7919
Entamoeba histolytica	hypothetical protein	0.0039	0.0725	1
Schistosoma mansoni	sugar transporter	0.0015	0.017	0.0763
Onchocerca volvulus		0.0015	0.017	1
Brugia malayi	hypothetical protein	0.0039	0.0725	0.3251
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0576	0.1973
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0032	0.0567	0.0617
Onchocerca volvulus		0.0015	0.017	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0576	0.8107
Leishmania major	glucose transporter, lmgt2	0.0032	0.0576	0.8107
Echinococcus multilocularis	solute carrier family 22	0.0015	0.017	0.0763
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0104	0.2229	1
Schistosoma mansoni	protein kinase	0.0032	0.0567	0.2543
Onchocerca volvulus		0.0015	0.017	1
Echinococcus multilocularis	calcium dependent protein kinase	0.003	0.0521	0.2339
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0032	0.0567	0.0404
Plasmodium falciparum	proline--tRNA ligase	0.0036	0.0671	0.051
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0576	0.8107
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0087	0.5
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0168	0.3704	0.3595
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.2229	1
Schistosoma mansoni	glucose transport protein	0.0104	0.2229	1
Onchocerca volvulus		0.0015	0.017	1
Schistosoma mansoni	sugar transporter	0.0015	0.017	0.0763
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0576	0.8107
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0368	0.3046
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0552	0.2476
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0368	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0567	0.2543
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Onchocerca volvulus		0.0015	0.017	1
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0032	0.0567	0.2543
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.2229	1
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0576	0.1973
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0104	0.2229	1
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0576	0.8107
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0567	0.2543
Schistosoma mansoni	hypothetical protein	0.0104	0.2229	1
Schistosoma mansoni	protein kinase	0.0032	0.0567	0.2543
Toxoplasma gondii	protein kinase, putative	0.0294	0.6601	1
Echinococcus granulosus	calcium dependent protein kinase	0.003	0.0521	0.2339
Brugia malayi	Sugar transporter family protein	0.0015	0.017	0.0763
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0015	0.017	0.5
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0015	0.017	0.0763
Onchocerca volvulus		0.0015	0.017	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0671	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0567	0.2543
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0368	0.0308
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0032	0.0567	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Trypanosoma cruzi	hexose transporter	0.0032	0.0576	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.0239	0.1383
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.2229	1
Onchocerca volvulus		0.0015	0.017	1
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0032	0.0567	0.0404
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0576	0.8107
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0552	0.2476
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0104	0.2229	1
Entamoeba histolytica	protein kinase, putative	0.0032	0.0567	0.5574
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.2229	1
Brugia malayi	hypothetical protein	0.0015	0.017	0.0763
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0368	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.0302	0.0641
Entamoeba histolytica	hypothetical protein	0.0039	0.0725	1
Schistosoma mansoni	glucose transporter	0.0015	0.017	0.0763
Mycobacterium ulcerans	sugar transporter	0.0015	0.017	0.2954
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0368	0.395
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0671	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0036	0.0671	0.0779
Plasmodium vivax	hexose transporter	0.0104	0.2229	0.2094
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0576	0.8107
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0015	0.017	0.0763
Brugia malayi	Sugar transporter family protein	0.0104	0.2229	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0104	0.2229	1
Echinococcus granulosus	General substrate transporter	0.009	0.1892	0.8489
Onchocerca volvulus		0.0015	0.017	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Echinococcus granulosus	synaptic vesicle 2 protein	0.0015	0.017	0.0763
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0567	0.2543
Trichomonas vaginalis	CAMK family protein kinase	0.0032	0.0567	0.1927
Plasmodium falciparum	protein kinase 7	0.0294	0.6601	0.6542
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.2229	1
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0576	0.1973
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0032	0.0567	0.2543
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0168	0.3704	0.3595
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Leishmania major	glucose transporter, lmgt1	0.0032	0.0576	0.8107
Schistosoma mansoni	hypothetical protein	0.0039	0.0725	0.3251
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0032	0.0567	0.0404
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0552	0.2476
Onchocerca volvulus		0.0015	0.017	1
Brugia malayi	major facilitator superfamily protein	0.0015	0.017	0.0763
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0287	1
Schistosoma mansoni	protein kinase	0.0032	0.0567	0.2543
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0576	0.1973
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0567	0.2543
Onchocerca volvulus		0.0015	0.017	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0567	0.2543
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Echinococcus granulosus	solute carrier family 22	0.0015	0.017	0.0763
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0576	0.8107
Echinococcus multilocularis	solute carrier family 22	0.0015	0.017	0.0763
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0032	0.0567	0.2543
Onchocerca volvulus		0.0015	0.017	1
Echinococcus multilocularis	solute carrier family 22	0.0015	0.017	0.0763
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0015	0.017	0.2954
Echinococcus granulosus	solute carrier family 22	0.0015	0.017	0.0763
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0368	0.0201
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0032	0.0567	0.0404
Loa Loa (eye worm)	sugar transporter	0.0015	0.017	0.0763
Echinococcus granulosus	solute carrier family 22	0.0015	0.017	0.0763
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0032	0.0567	0.0617
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0032	0.0567	0.0404
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0576	0.8107
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0552	0.2476
Plasmodium falciparum	hexose transporter	0.0104	0.2229	0.2094
Onchocerca volvulus		0.0015	0.017	1
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0032	0.0567	0.0404
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0576	0.8107
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0552	0.5158
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.002	0.0287	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.017	0.0763
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0552	1
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0576	0.1973
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0552	1
Brugia malayi	Cam kinase protein 1	0.0032	0.0567	0.2543
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.017	0.0763
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0368	0.0201
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0368	0.0961
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0368	0.1651
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0725	0.3251
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0576	0.8107
Schistosoma mansoni	sugar transporter	0.0015	0.017	0.0763
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0032	0.0567	0.7919
Onchocerca volvulus		0.0015	0.017	1
Brugia malayi	Sugar transporter family protein	0.0015	0.017	0.0763
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0576	0.1973
Entamoeba histolytica	hypothetical protein	0.0039	0.0725	1
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0368	0.1651
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.0128	0.0575
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0168	0.3704	0.5495
Brugia malayi	major facilitator superfamily protein	0.0015	0.017	0.0763
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0576	0.8107
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.017	0.0763
Entamoeba histolytica	protein kinase, putative	0.0032	0.0567	0.5574
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Onchocerca volvulus		0.0015	0.017	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0368	0.1651
Onchocerca volvulus		0.0015	0.017	1
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0015	0.017	0.0763
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0368	0.5182
Schistosoma mansoni	glucose transport protein	0.0104	0.2229	1
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0032	0.0567	0.0404
Echinococcus multilocularis	solute carrier family 22	0.0015	0.017	0.0763
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0015	0.017	0.0763
Onchocerca volvulus	Putative transporter	0.0015	0.017	1
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0015	0.017	0.2954
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0552	0.2476
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0576	0.8107
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0567	0.2543
Echinococcus granulosus	solute carrier family 22	0.0015	0.017	0.0763
Onchocerca volvulus		0.0015	0.017	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0567	0.2543
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0576	0.8107
Loa Loa (eye worm)	sugar transporter	0.0104	0.2229	1
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0671	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0032	0.0567	0.0617
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0032	0.0567	0.0404
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0671	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0417	0.1872
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.017	0.0763
Echinococcus multilocularis	General substrate transporter	0.009	0.1892	0.8489
Schistosoma mansoni	sugar transporter	0.0015	0.017	0.0763
Loa Loa (eye worm)	hypothetical protein	0.0015	0.017	0.0763
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0576	0.8107
Schistosoma mansoni	glucose transport protein	0.0104	0.2229	1
Leishmania major	glucose transporter, lmgt3	0.0032	0.0576	0.8107
Mycobacterium ulcerans	integral membrane transport protein	0.0015	0.017	0.2954
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0576	0.8107
Brugia malayi	hypothetical protein	0.0015	0.017	0.0763
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0552	0.2476
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0442	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0725	0.3251
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.017	0.0763
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0368	1
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0368	0.1651
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0368	0.395
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0552	0.1855
Toxoplasma gondii	facilitative glucose transporter GT1	0.0104	0.2229	0.3201
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0725	0.3251
Brugia malayi	hypothetical protein	0.0015	0.017	0.0763

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= -21 %	DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1	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: CHEMBL1861656

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 1044170