TDR Targets

Basic information

Technical information

TDR Targets ID: 305924
Name: N,N-dimethyl-3-[[5-(trifluoromethyl)-1H-pyraz ol-3-yl]oxy]propan-1-amine
MW: 237.222 | Formula: C9H14F3N3O
H donors: 1 H acceptors: 1 LogP: 1.83 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCCOc1cc([nH]n1)C(F)(F)F)C
InChi: 1S/C9H14F3N3O/c1-15(2)4-3-5-16-8-6-7(13-14-8)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14)
InChiKey: LAXDENARCGFMLJ-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,N-dimethyl-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]-1-propanamine
dimethyl-[3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]propyl]amine

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	hypothetical protein	0.0146	0.6618	0.8633
Trichomonas vaginalis	CMGC family protein kinase	0.0087	0.3651	1
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0068	0.2704	0.3454
Schistosoma mansoni	hypothetical protein	0.0016	0.0085	0.0111
Echinococcus granulosus	survival motor neuron protein 1	0.0214	1	1
Echinococcus multilocularis	lamin dm0	0.0024	0.0509	0.0509
Trichomonas vaginalis	inositol monophosphatase, putative	0.0068	0.2704	0.6538
Onchocerca volvulus		0.0087	0.3651	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0033	0.0915	0.0915
Brugia malayi	beta-lactamase family protein	0.0033	0.0915	0.0915
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0045	0.1549	0.1549
Entamoeba histolytica	protein kinase, putative	0.0087	0.3651	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0167	0.7666	1
Trypanosoma brucei	hypothetical protein, conserved	0.0033	0.0915	0.2327
Loa Loa (eye worm)	transcription factor SMAD2	0.0108	0.4694	0.4694
Echinococcus multilocularis		0.0016	0.0085	0.0085
Echinococcus granulosus	geminin	0.0146	0.6618	0.6618
Giardia lamblia	Kinase, CMGC GSK	0.0087	0.3651	0.5
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0167	0.7666	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0033	0.0915	0.1194
Loa Loa (eye worm)	RNA binding protein	0.0119	0.5265	0.5265
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0915	0.0862
Echinococcus granulosus	lamin	0.0024	0.0509	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0832	0.0832
Trypanosoma cruzi	cytochrome P450, putative	0.0024	0.0482	0.1114
Loa Loa (eye worm)	inositol-1	0.0068	0.2704	0.2704
Schistosoma mansoni	hypothetical protein	0.0031	0.0832	0.1085
Schistosoma mansoni	hypothetical protein	0.0044	0.1469	0.1916
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0044	0.1469	0.1469
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0068	0.2704	0.7344
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0915	0.2327
Onchocerca volvulus		0.0033	0.0915	0.1293
Mycobacterium tuberculosis	Probable hydrolase	0.0033	0.0915	0.0862
Loa Loa (eye worm)	MH2 domain-containing protein	0.0108	0.4694	0.4694
Brugia malayi	Cytochrome P450 family protein	0.0024	0.0482	0.0482
Loa Loa (eye worm)	cytochrome P450 family protein	0.005	0.1815	0.1815
Mycobacterium leprae	conserved hypothetical protein	0.0033	0.0915	0.3672
Loa Loa (eye worm)	cytochrome P450	0.0016	0.0085	0.0085
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0167	0.7666	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0119	0.5265	0.5265
Brugia malayi	RNA recognition motif domain containing protein	0.0119	0.5265	0.5265
Brugia malayi	Cytochrome P450 family protein	0.0016	0.0085	0.0085
Schistosoma mansoni	tar DNA-binding protein	0.0119	0.5265	0.6869
Schistosoma mansoni	lamin	0.0024	0.0509	0.0664
Toxoplasma gondii	aldehyde dehydrogenase	0.0167	0.7666	1
Mycobacterium ulcerans	lipase LipD	0.0033	0.0915	0.1095
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0061	0.2345	1
Brugia malayi	intracellular kinase	0.0087	0.3651	0.3651
Plasmodium falciparum	glycogen synthase kinase 3	0.0087	0.3651	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0024	0.0509	0.0509
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0167	0.7666	1
Loa Loa (eye worm)	CYP4Cod1	0.0024	0.0482	0.0482
Toxoplasma gondii	ABC1 family protein	0.0033	0.0915	0.1095
Giardia lamblia	Kinase, CMGC GSK	0.0087	0.3651	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0033	0.0915	0.1194
Mycobacterium tuberculosis	Probable lipase LipE	0.0033	0.0915	0.0862
Echinococcus granulosus	lamin dm0	0.0024	0.0509	0.0509
Schistosoma mansoni	tar DNA-binding protein	0.0119	0.5265	0.6869
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0087	0.3651	0.4704
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0915	0.0915
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0033	0.0915	0.0862
Echinococcus multilocularis	survival motor neuron protein 1	0.0214	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0119	0.5265	0.5265
Mycobacterium leprae	Probable lipase LipE	0.0033	0.0915	0.3672
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0033	0.0915	0.0862
Trichomonas vaginalis	CMGC family protein kinase	0.0087	0.3651	1
Trypanosoma cruzi	cytochrome P450, putative	0.0024	0.0482	0.1114
Echinococcus granulosus	tar DNA binding protein	0.0119	0.5265	0.5265
Brugia malayi	cytochrome P450	0.0016	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0509	0.0509
Loa Loa (eye worm)	beta-lactamase	0.0033	0.0915	0.0915
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0915	0.2327
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0068	0.2704	0.7344
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0068	0.2704	0.6538
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0068	0.2704	0.7344
Echinococcus multilocularis	lamin	0.0024	0.0509	0.0509
Leishmania major	cytochrome p450-like protein	0.0024	0.0482	0.0524
Trypanosoma brucei	cytochrome P450, putative	0.0024	0.0482	0.1114
Mycobacterium ulcerans	esterase/lipase LipP	0.0033	0.0915	0.1095
Loa Loa (eye worm)	TAR-binding protein	0.0119	0.5265	0.5265
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0033	0.0915	0.1095
Echinococcus multilocularis	inositol monophosphatase 1	0.0068	0.2704	0.2704
Brugia malayi	MH2 domain containing protein	0.0108	0.4694	0.4694
Echinococcus granulosus	beta LACTamase domain containing family member	0.0033	0.0915	0.0915
Echinococcus multilocularis	musashi	0.0024	0.0509	0.0509
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0167	0.7666	0.7878
Echinococcus granulosus	cytochrome P450 2K1	0.0016	0.0085	0.0085
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0033	0.0915	0.0862
Schistosoma mansoni	survival motor neuron protein	0.0044	0.1469	0.1916
Brugia malayi	RNA binding protein	0.0119	0.5265	0.5265
Leishmania major	hypothetical protein, conserved	0.0033	0.0915	0.1095
Schistosoma mansoni	aldehyde dehydrogenase	0.0167	0.7666	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0061	0.2345	0.2349
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0068	0.2704	0.5
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0087	0.3651	1
Brugia malayi	Inositol-1	0.0068	0.2704	0.2704
Brugia malayi	TAR-binding protein	0.0119	0.5265	0.5265
Schistosoma mansoni	tar DNA-binding protein	0.0119	0.5265	0.6869
Echinococcus granulosus	protein kinase shaggy	0.0087	0.3651	0.3651
Brugia malayi	beta-lactamase	0.0033	0.0915	0.0915
Echinococcus multilocularis	protein kinase shaggy	0.0087	0.3651	0.3651
Brugia malayi	Intermediate filament tail domain containing protein	0.0024	0.0509	0.0509
Schistosoma mansoni	hypothetical protein	0.0146	0.6618	0.8633
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0915	0.0915
Brugia malayi	intermediate filament protein	0.0024	0.0509	0.0509
Schistosoma mansoni	intermediate filament proteins	0.0024	0.0509	0.0664
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0068	0.2704	0.6538
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0087	0.3651	0.4762
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0024	0.0509	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0915	0.0915
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0045	0.1549	0.1549
Echinococcus multilocularis	geminin	0.0146	0.6618	0.6618
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0167	0.7666	1
Schistosoma mansoni	tar DNA-binding protein	0.0119	0.5265	0.6869
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0087	0.3651	1
Brugia malayi	Cytochrome P450 family protein	0.0024	0.0482	0.0482
Onchocerca volvulus		0.0033	0.0915	0.1293
Trypanosoma brucei	protein kinase, putative	0.0087	0.3651	1
Loa Loa (eye worm)	hypothetical protein	0.0214	1	1
Echinococcus granulosus	inositol monophosphatase 1	0.0068	0.2704	0.2704
Mycobacterium tuberculosis	Probable lipase LipD	0.0033	0.0915	0.0862
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0087	0.3651	0.3651
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0087	0.3651	0.3651
Loa Loa (eye worm)	cytochrome P450 family protein	0.0024	0.0482	0.0482
Brugia malayi	latrophilin 2 splice variant baaae	0.0031	0.0832	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1549	0.1549
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0087	0.3651	0.4704
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0068	0.2704	0.3454
Loa Loa (eye worm)	cytochrome P450 family protein	0.0024	0.0482	0.0482
Onchocerca volvulus		0.0033	0.0915	0.1293
Mycobacterium ulcerans	hypothetical protein	0.0033	0.0915	0.1095
Schistosoma mansoni	lamin	0.0024	0.0509	0.0664
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0486	0.0486
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0915	0.0862
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0045	0.1549	0.1549
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0033	0.0915	0.0915
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0915	0.0915
Schistosoma mansoni	inositol monophosphatase	0.0068	0.2704	0.3527
Mycobacterium ulcerans	beta-lactamase	0.0033	0.0915	0.1095
Brugia malayi	beta-lactamase family protein	0.0033	0.0915	0.0915
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0087	0.3651	0.3651
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0167	0.7666	0.7666
Mycobacterium tuberculosis	Probable esterase LipL	0.0033	0.0915	0.0862
Schistosoma mansoni	tar DNA-binding protein	0.0119	0.5265	0.6869
Schistosoma mansoni	cytochrome P450	0.0016	0.0085	0.0111
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0915	0.0862
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0024	0.0482	0.0524
Echinococcus granulosus	intermediate filament protein	0.0024	0.0509	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0915	0.0915
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0068	0.2704	0.3454
Entamoeba histolytica	protein kinase domain containing protein	0.0087	0.3651	1
Brugia malayi	Cytochrome P450 family protein	0.005	0.1815	0.1815
Onchocerca volvulus		0.0044	0.1469	0.3057
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0915	0.0915
Schistosoma mansoni	inositol monophosphatase	0.0068	0.2704	0.3527
Entamoeba histolytica	protein kinase domain containing protein	0.0087	0.3651	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0087	0.3651	0.3651
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0208	0.9708	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0167	0.7666	0.7666
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0033	0.0915	0.0915

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 8 %	Percent inhibition of collagen-induced platelet aggregation at 100 microM concentration	ChEMBL.	11141091
Inhibition (functional)	= 8 %	Percent inhibition of collagen-induced platelet aggregation at 100 microM concentration	ChEMBL.	11141091
REA (functional)	= 1.13	Bovine sGC stimulation measured as relative enzyme activity (percentage of DEA/NO response for the compound to compound 3)	ChEMBL.	11141091

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: CHEMBL172422
PubChem: 10198605

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 305924