TDR Targets

Basic information

Technical information

TDR Targets ID: 1464956
Name: 1-[(E)-3-phenylprop-2-enoxy]-4-(trifluorometh yl)benzene
MW: 278.269 | Formula: C16H13F3O
H donors: 0 H acceptors: 0 LogP: 4.91 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: FC(c1ccc(cc1)OC/C=C/c1ccccc1)(F)F
InChi: 1S/C16H13F3O/c17-16(18,19)14-8-10-15(11-9-14)20-12-4-7-13-5-2-1-3-6-13/h1-11H,12H2/b7-4+
InChiKey: NHFKJSLSJJGBQE-QPJJXVBHSA-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
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0014	0.0023	0.0023
Echinococcus granulosus	hyperpolarization activated cyclic	0.0014	0.0023	0.0023
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0047	0.1309	0.1309
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0014	0.0023	0.0023
Trichomonas vaginalis	CMGC family protein kinase	0.0057	0.1704	0.1684
Trypanosoma brucei	Casein kinase II	0.027	1	1
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0047	0.1309	0.1309
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Echinococcus multilocularis	casein kinase ii subunit beta	0.0037	0.0908	0.0908
Trichomonas vaginalis	CMGC family protein kinase	0.0057	0.1704	0.1684
Giardia lamblia	Kinase, CMGC CDK	0.0047	0.1309	0.0441
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0072	0.2288	0.2288
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0014	0.0023	0.0023
Entamoeba histolytica	protein kinase domain containing protein	0.0052	0.1502	0.0653
Schistosoma mansoni	serine/threonine protein kinase	0.0164	0.5888	0.5888
Entamoeba histolytica	protein kinase, putative	0.0052	0.1502	0.0653
Echinococcus granulosus	cyclin dependent kinase 5	0.0047	0.1309	0.1309
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0164	0.5888	0.5888
Trichomonas vaginalis	CMGC family protein kinase	0.0047	0.1309	0.1288
Trichomonas vaginalis	CMGC family protein kinase	0.027	1	1
Echinococcus granulosus	dual specificity	0.0057	0.1704	0.1704
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0047	0.1309	0.1309
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0037	0.0908	0.0908
Giardia lamblia	Kinase, CMGC GSK	0.0052	0.1502	0.0653
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0164	0.5888	0.5888
Giardia lamblia	Kinase, CMGC CDK	0.0047	0.1309	0.0441
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0052	0.1502	0.0653
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Echinococcus multilocularis	homeodomain interacting protein kinase 3	0.0174	0.6274	0.6274
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0164	0.5888	0.5888
Trichomonas vaginalis	CMGC family protein kinase	0.0047	0.1309	0.1288
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0057	0.1704	0.1704
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0072	0.2288	0.2288
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0072	0.2288	0.2288
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0052	0.1502	0.1502
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1915	0.1915
Echinococcus multilocularis	cyclin dependent kinase 1	0.0047	0.1309	0.1309
Echinococcus multilocularis	cyclin dependent kinase 1	0.0047	0.1309	0.1309
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0014	0.0023	0.0023
Schistosoma mansoni	casein kinase II beta subunit	0.0037	0.0908	0.0908
Trypanosoma brucei	protein kinase, putative	0.0052	0.1502	0.0653
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0047	0.1309	0.1309
Echinococcus granulosus	dual specificity	0.0057	0.1704	0.1704
Trypanosoma brucei	cdc2-related kinase 1	0.0047	0.1309	0.0441
Trichomonas vaginalis	CMGC family protein kinase	0.027	1	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0283	0.0283
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.1502	0.1482
Echinococcus granulosus	casein kinase ii subunit beta	0.0037	0.0908	0.0908
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Plasmodium falciparum	casein kinase II beta chain	0.0037	0.0908	0.0908
Echinococcus multilocularis	dual specificity	0.0057	0.1704	0.1704
Entamoeba histolytica	protein kinase, putative	0.0057	0.1704	0.0875
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0047	0.1309	0.1309
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0014	0.0023	0.0023
Schistosoma mansoni	voltage-gated potassium channel	0.0079	0.2547	0.2547
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0014	0.0023	0.0023
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0014	0.0023	0.0023
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0164	0.5888	0.5888
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0052	0.1502	0.1502
Schistosoma mansoni	serine/threonine protein kinase	0.0057	0.1704	0.1704
Schistosoma mansoni	serine/threonine protein kinase	0.0047	0.1309	0.1309
Brugia malayi	intracellular kinase	0.0052	0.1502	0.1502
Echinococcus multilocularis	casein kinase ii subunit alpha	0.027	1	1
Brugia malayi	Homeodomain interacting protein kinase protein 1	0.0174	0.6274	0.6274
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0052	0.1502	0.1502
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0052	0.1502	0.1502
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.027	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1146	0.1146
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0014	0.0023	0.0023
Entamoeba histolytica	protein kinase domain containing protein	0.027	1	1
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0014	0.0023	0.0023
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Plasmodium falciparum	casein kinase 2, alpha subunit	0.027	1	1
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0047	0.1309	0.1309
Trypanosoma brucei	cdc2-related kinase 3	0.0047	0.1309	0.0441
Trichomonas vaginalis	CMGC family protein kinase	0.0047	0.1309	0.1288
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Loa Loa (eye worm)	CMGC/DYRK/HIPK protein kinase	0.0174	0.6274	0.6274
Trichomonas vaginalis	CMGC family protein kinase	0.0057	0.1704	0.1684
Toxoplasma gondii	ck2 beta subunit	0.0037	0.0908	0.0908
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0072	0.2288	0.2288
Schistosoma mansoni	protein kinase	0.027	1	1
Plasmodium falciparum	casein kinase II beta chain	0.0037	0.0908	0.0908
Trichomonas vaginalis	CMGC family protein kinase	0.027	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Echinococcus granulosus	voltage gated potassium channel	0.0021	0.0283	0.0283
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0057	0.1704	0.1704
Loa Loa (eye worm)	Csnk2b protein	0.0037	0.0908	0.0908
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.0283	0.0283
Schistosoma mansoni	serine/threonine protein kinase	0.0174	0.6274	0.6274
Trichomonas vaginalis	CMGC family protein kinase	0.027	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0014	0.0023	0.0023
Trichomonas vaginalis	CMGC family protein kinase	0.0057	0.1704	0.1684
Trypanosoma cruzi	cdc2-related kinase 3	0.0047	0.1309	0.0441
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0068	0.2102	0.2084
Brugia malayi	Csnk2b protein	0.0037	0.0908	0.0908
Entamoeba histolytica	cell division protein kinase 2, putative	0.0047	0.1309	0.0441
Entamoeba histolytica	protein kinase domain containing protein	0.0174	0.6274	0.5902
Plasmodium vivax	unspecified product	0.027	1	1
Echinococcus granulosus	protein kinase shaggy	0.0052	0.1502	0.1502
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0057	0.1704	0.1704
Brugia malayi	Protein kinase domain containing protein	0.0047	0.1309	0.1309
Trichomonas vaginalis	CMGC family protein kinase	0.0057	0.1704	0.1684
Trypanosoma cruzi	cdc2-related kinase 1	0.0047	0.1309	0.0441
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0014	0.0023	0.0023
Echinococcus multilocularis	dual specificity	0.0057	0.1704	0.1704
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0052	0.1502	0.1502
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0052	0.1502	0.1502
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0021	0.0283	0.0283
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.027	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Schistosoma mansoni	voltage-gated potassium channel	0.0079	0.2547	0.2547
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0164	0.5888	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0052	0.1502	0.1502
Giardia lamblia	Kinase, CMGC CK2	0.027	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.027	1	1
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0047	0.1309	0.1309
Echinococcus granulosus	hyperpolarization activated cyclic	0.0014	0.0023	0.0023
Schistosoma mansoni	serine/threonine protein kinase	0.0047	0.1309	0.1309
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0014	0.0023	0.0023
Echinococcus granulosus	dual specificity	0.0057	0.1704	0.1704
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0014	0.0023	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0023	0.0023
Echinococcus multilocularis	voltage gated potassium channel	0.0021	0.0283	0.0283
Entamoeba histolytica	protein kinase domain containing protein	0.0052	0.1502	0.0653
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.0037	0.0908	0.0908
Onchocerca volvulus		0.0052	0.1502	0.1193
Echinococcus granulosus	cyclin dependent kinase	0.0047	0.1309	0.1309
Leishmania major	casein kinase II, putative	0.027	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Plasmodium vivax	protein kinase Crk2	0.0047	0.1309	0.0441
Plasmodium falciparum	protein kinase 5	0.0047	0.1309	0.1309
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0014	0.0023	0.0023
Giardia lamblia	Kinase, CMGC GSK	0.0052	0.1502	0.0653
Entamoeba histolytica	protein kinase domain containing protein	0.0057	0.1704	0.0875
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0014	0.0023	0.0023
Plasmodium falciparum	glycogen synthase kinase 3	0.0052	0.1502	0.1502
Giardia lamblia	Kinase, CMGC DYRK	0.0057	0.1704	0.0875
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0052	0.1502	0.0653
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0068	0.2102	0.2084
Entamoeba histolytica	casein kinase, putative	0.027	1	1
Echinococcus granulosus	cyclin dependent kinase 1	0.0047	0.1309	0.1309
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0057	0.1704	0.1704
Echinococcus multilocularis	protein kinase shaggy	0.0052	0.1502	0.1502
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Trypanosoma cruzi	cdc2-related kinase 3	0.0047	0.1309	0.0441
Trypanosoma cruzi	cdc2-related kinase 1	0.0047	0.1309	0.0441
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.1502	0.1482
Trypanosoma cruzi	casein kinase II, putative	0.027	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0057	0.1704	0.1684
Echinococcus multilocularis	cyclin dependent kinase 5	0.0047	0.1309	0.1309
Brugia malayi	Protein kinase domain containing protein	0.0164	0.5888	0.5888
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0021	0.0283	0.0283
Echinococcus granulosus	casein kinase ii subunit alpha	0.027	1	1
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0014	0.0023	0.0023
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0021	0.0283	0.0283
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Echinococcus multilocularis	dual specificity	0.0057	0.1704	0.1704
Echinococcus granulosus	homeodomain interacting protein kinase 3	0.0174	0.6274	0.6274
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0164	0.5888	0.5888
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0057	0.1704	0.0875
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Entamoeba histolytica	cell division protein kinase 2, putative	0.0047	0.1309	0.0441
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0014	0.0023	0.0023
Brugia malayi	cell division control protein 2 homolog	0.0047	0.1309	0.1309
Toxoplasma gondii	CMGC kinase, CK2 family	0.027	1	1
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0057	0.1704	0.0875
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.0283	0.0283
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0014	0.0023	0.0023
Echinococcus multilocularis	cyclin dependent kinase	0.0047	0.1309	0.1309
Trichomonas vaginalis	CMGC family protein kinase	0.027	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0908	0.0887
Trichomonas vaginalis	CMGC family protein kinase	0.027	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	> 50 ug ml-1	Antifungal activity against Candida albicans after 48 hrs by broth microdilution assay	ChEMBL.	21130651
MIC (functional)	> 50 ug ml-1	Antifungal activity against Candida albicans MTCC-183 after 48 hrs by broth microdilution assay	ChEMBL.	21130651
MIC (functional)	= 50 ug ml-1	Antifungal activity against Candida albicans isolate CDRI after 48 hrs by broth microdilution assay	ChEMBL.	21130651
MIC (functional)	> 50 ug ml-1	Antifungal activity against Candida albicans NCIM-3557 after 48 hrs by broth microdilution assay	ChEMBL.	21130651
MIC (functional)	> 200 ug ml-1	Antitrichomonas activity against Trichomonas vaginalis after 48 hrs by trypan blue exclusion assay	ChEMBL.	21130651

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: CHEMBL1641988

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 1464956