TDR Targets

Basic information

Technical information

TDR Targets ID: 719653
Name: 3-[2-(1-cyclohexenyl)ethyl]-1-(1,1,1,3,3,3-he xafluoro-2-methylpropan-2-yl)urea
MW: 332.285 | Formula: C13H18F6N2O
H donors: 2 H acceptors: 1 LogP: 3.89 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC(C(F)(F)F)(C(F)(F)F)C)NCCC1=CCCCC1
InChi: 1S/C13H18F6N2O/c1-11(12(14,15)16,13(17,18)19)21-10(22)20-8-7-9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3,(H2,20,21,22)
InChiKey: SRHUBBOHZZPAIW-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

3-[2-(1-cyclohexenyl)ethyl]-1-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]urea
3-[2-(1-cyclohexenyl)ethyl]-1-(1,1,1,3,3,3-hexafluoro-2-methyl-propan-2-yl)urea
ZINC03613217

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	jumonji/arid domain-containing protein	0.0038	0.0114	0.0122
Brugia malayi	Bromodomain containing protein	0.0031	0.0027	0.0047
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0365	0.4454	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0027	0.0047
Trypanosoma brucei	PAB1-binding protein , putative	0.0049	0.0266	0.0473
Brugia malayi	Carboxyl transferase domain containing protein	0.0166	0.1817	0.3111
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0452	0.0595
Echinococcus multilocularis	lysine specific demethylase 5A	0.0038	0.0114	0.0087
Brugia malayi	follicle stimulating hormone receptor	0.047	0.584	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0101	0.0954	0.1297
Brugia malayi	jmjC domain containing protein	0.0038	0.0114	0.0195
Giardia lamblia	PHD finger protein 15	0.0031	0.0027	1
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0101	0.0954	0.1979
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0335	0.0573
Loa Loa (eye worm)	hypothetical protein	0.0106	0.102	0.1746
Brugia malayi	mbt repeat family protein	0.0093	0.0849	0.1453
Entamoeba histolytica	hypothetical protein	0.0075	0.0604	1
Schistosoma mansoni	hypothetical protein	0.0097	0.0905	0.1228
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.0604	0.1231
Brugia malayi	latrophilin 2 splice variant baaae	0.021	0.2403	0.4114
Echinococcus multilocularis	serotonin receptor	0.0384	0.4709	0.4695
Toxoplasma gondii	LsmAD domain-containing protein	0.0049	0.0266	0.054
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0066	0.0483	0.0638
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.0166	0.1817	0.3111
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0365	0.4454	1
Loa Loa (eye worm)	hypothetical protein	0.0443	0.5485	0.9392
Leishmania major	acetyl-CoA carboxylase, putative	0.0172	0.1897	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0452	0.0595
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.0066	0.0483	0.1331
Echinococcus granulosus	lamin	0.0054	0.0335	0.0657
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0452	0.0426
Loa Loa (eye worm)	MH2 domain-containing protein	0.0251	0.2937	0.5029
Schistosoma mansoni	hypothetical protein	0.0097	0.0905	0.1228
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0106	0.102	0.1746
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0097	0.0905	0.1549
Loa Loa (eye worm)	jmjC domain-containing protein	0.0064	0.0467	0.08
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0106	0.102	0.212
Echinococcus granulosus	jumonji domain containing protein	0.0043	0.0189	0.0346
Loa Loa (eye worm)	mbt repeat family protein	0.0093	0.0849	0.1453
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0507	0.0869
Schistosoma mansoni	sex comb on midleg homolog	0.0093	0.0849	0.115
Schistosoma mansoni	hypothetical protein	0.021	0.2403	0.3325
Echinococcus granulosus	lamin dm0	0.0054	0.0335	0.0657
Brugia malayi	hypothetical protein	0.0049	0.0266	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0384	0.4709	0.8064
Loa Loa (eye worm)	transcription factor SMAD2	0.0251	0.2937	0.5029
Echinococcus granulosus	GPCR family 2	0.0097	0.0905	0.1874
Schistosoma mansoni	hypothetical protein	0.0075	0.0604	0.0807
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0266	0.0456
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0308	0.3694	0.6325
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0323	0.0552
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0365	0.4454	1
Trypanosoma cruzi	acetyl-CoA carboxylase	0.0107	0.1027	1
Onchocerca volvulus	Huntingtin homolog	0.0131	0.1351	0.2426
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0452	0.0595
Brugia malayi	hypothetical protein	0.0443	0.5485	0.9392
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0101	0.0954	0.0929
Echinococcus multilocularis	GPCR, family 2	0.0097	0.0905	0.088
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0371	0.453	0.9618
Schistosoma mansoni	intermediate filament proteins	0.0054	0.0335	0.0431
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0067	0.0507	0.0672
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0452	0.0774
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0452	0.0774
Leishmania major	carboxylase, putative	0.0066	0.0483	0.1331
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.0604	0.0807
Brugia malayi	hypothetical protein	0.0131	0.1351	0.2313
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0172	0.1897	0.1875
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0365	0.4454	1
Schistosoma mansoni	hypothetical protein	0.057	0.7171	1
Toxoplasma gondii	pyruvate carboxylase	0.0066	0.0483	0.103
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0066	0.0483	0.1741
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0365	0.4454	1
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0172	0.1897	0.4223
Loa Loa (eye worm)	hypothetical protein	0.021	0.2403	0.4114
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0452	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0322	0.0551
Brugia malayi	hypothetical protein	0.0075	0.0604	0.1034
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0066	0.0483	0.0457
Onchocerca volvulus		0.0054	0.0335	0.0564
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0114	0.0122
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0066	0.0483	0.2853
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.0604	0.0578
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0101	0.0954	0.1297
Echinococcus granulosus	histone acetyltransferase MYST2	0.0106	0.102	0.212
Brugia malayi	jmjC domain containing protein	0.0102	0.0968	0.1657
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0452	0.0908
Brugia malayi	TAR-binding protein	0.0063	0.0452	0.0774
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0452	0.0595
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0308	0.3694	0.6325
Brugia malayi	PHD-finger family protein	0.0031	0.0027	0.0047
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0093	0.0849	0.115
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0093	0.0849	0.1505
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0101	0.0954	0.1297
Brugia malayi	hypothetical protein	0.0032	0.0035	0.006
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0172	0.1897	0.4223
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0067	0.0507	0.0672
Brugia malayi	Intermediate filament tail domain containing protein	0.0054	0.0335	0.0573
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0452	0.0774
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0371	0.453	0.4515
Entamoeba histolytica	hypothetical protein	0.0075	0.0604	1
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0066	0.0483	0.1741
Schistosoma mansoni	hypothetical protein	0.0097	0.0905	0.1228
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0365	0.4454	1
Loa Loa (eye worm)	hypothetical protein	0.0384	0.4709	0.8064
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0097	0.0905	0.1874
Toxoplasma gondii	melibiase subfamily protein	0.0101	0.0954	0.2093
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0106	0.102	0.1389
Schistosoma mansoni	acetyl-CoA carboxylase	0.0172	0.1897	0.2617
Loa Loa (eye worm)	hypothetical protein	0.0308	0.3694	0.6325
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0308	0.3694	0.6325
Plasmodium falciparum	ataxin-2 like protein, putative	0.0049	0.0266	0.054
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0066	0.0483	0.2853
Echinococcus multilocularis	geminin	0.0164	0.1784	0.1762
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0125	0.1266	0.2798
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0054	0.0335	0.0573
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0452	0.0774
Trichomonas vaginalis	hypothetical protein	0.0365	0.4454	1
Schistosoma mansoni	sex comb on midleg homolog	0.0093	0.0849	0.115
Echinococcus multilocularis	lamin	0.0054	0.0335	0.0308
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0101	0.0954	0.1297
Onchocerca volvulus		0.0054	0.0335	0.0564
Onchocerca volvulus	Huntingtin homolog	0.0131	0.1351	0.2426
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0097	0.0905	0.088
Echinococcus multilocularis	polycomb protein SCMH1	0.0093	0.0849	0.0824
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0365	0.4454	1
Echinococcus multilocularis	jumonji domain containing protein	0.0043	0.0189	0.0162
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0384	0.4709	0.6554
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0365	0.4454	1
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0106	0.102	0.0995
Plasmodium falciparum	ataxin-2 like protein, putative	0.0049	0.0266	0.054
Echinococcus multilocularis	lamin dm0	0.0054	0.0335	0.0308
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0093	0.0849	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1351	0.2313
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0106	0.102	0.0995
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.047	0.584	1
Trypanosoma brucei	acetyl-CoA carboxylase	0.0172	0.1897	1
Brugia malayi	mbt repeat family protein	0.0093	0.0849	0.1453
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0905	0.1549
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0066	0.0483	0.0974
Brugia malayi	intermediate filament protein	0.0054	0.0335	0.0573
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.0172	0.1897	0.3993
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.0114	0.0186
Loa Loa (eye worm)	MBCTL1	0.0106	0.102	0.1746
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0125	0.1266	0.2798
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0097	0.0905	0.088
Entamoeba histolytica	hypothetical protein	0.0075	0.0604	1
Schistosoma mansoni	lamin	0.0054	0.0335	0.0431
Schistosoma mansoni	jumonji domain containing protein	0.0081	0.0689	0.0927
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0097	0.0905	0.1874
Echinococcus granulosus	intermediate filament protein	0.0054	0.0335	0.0657
Brugia malayi	RNA binding protein	0.0063	0.0452	0.0774
Entamoeba histolytica	hypothetical protein	0.0075	0.0604	1
Loa Loa (eye worm)	PHD-finger family protein	0.0031	0.0027	0.0047
Schistosoma mansoni	pyruvate carboxylase	0.0066	0.0483	0.0638
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0114	0.0195
Brugia malayi	Latrophilin receptor protein 2	0.0097	0.0905	0.1549
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0102	0.0968	0.0943
Brugia malayi	Melibiase family protein	0.0067	0.0507	0.0869
Plasmodium vivax	ataxin-2 like protein, putative	0.0049	0.0266	0.054
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1351	0.2313
Brugia malayi	MH2 domain containing protein	0.0251	0.2937	0.5029
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0066	0.0483	0.0638
Loa Loa (eye worm)	intermediate filament protein	0.0054	0.0335	0.0573
Schistosoma mansoni	lamin	0.0054	0.0335	0.0431
Echinococcus multilocularis	serotonin receptor	0.0384	0.4709	0.4695
Echinococcus granulosus	SAM and MBT domain containing protein	0.0093	0.0849	0.1755
Echinococcus multilocularis	musashi	0.0054	0.0335	0.0308
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0102	0.0968	0.2009
Schistosoma mansoni	hypothetical protein	0.0164	0.1784	0.2459
Echinococcus granulosus	polycomb protein SCMH1	0.0093	0.0849	0.1755
Echinococcus granulosus	geminin	0.0164	0.1784	0.3752
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0101	0.0954	0.0929
Schistosoma mansoni	hypothetical protein	0.0097	0.0905	0.1228
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0097	0.0905	0.1549
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0849	0.1453
Onchocerca volvulus		0.0093	0.0849	0.1505
Onchocerca volvulus		0.0443	0.5485	1
Schistosoma mansoni	hypothetical protein	0.0164	0.1784	0.2459
Echinococcus granulosus	biogenic amine 5HT receptor	0.0384	0.4709	1

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 719653