TDR Targets

Basic information

Technical information

TDR Targets ID: 841010
Name: N,N-diethyl-4-(2-nitrophenoxy)butan-1-amine
MW: 266.336 | Formula: C14H22N2O3
H donors: 0 H acceptors: 2 LogP: 3.21 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCCCOc1ccccc1[N+](=O)[O-])CC
InChi: 1S/C14H22N2O3/c1-3-15(4-2)11-7-8-12-19-14-10-6-5-9-13(14)16(17)18/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3
InChiKey: HCVCJNOHOPGLPR-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

diethyl-[4-(2-nitrophenoxy)butyl]amine
BIM-0019339.P001
CBMicro_019494

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
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0028	0.0273	0.0837
Onchocerca volvulus	Fatty acid synthase homolog	0.0048	0.0585	0.4084
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0118	0.1696	0.2796
Loa Loa (eye worm)	acyl carrier protein	0.0022	0.0165	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0308	0.052
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0024	0.0199	0.0511
Schistosoma mansoni	hypothetical protein	0.0268	0.4058	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0032	0.0324	0.0949
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0032	0.0334	0.1069
Onchocerca volvulus	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog	0.0097	0.1355	1
Loa Loa (eye worm)	hypothetical protein	0.0387	0.5927	1
Schistosoma mansoni	hypothetical protein	0.0268	0.4058	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0037	0.0417	0.0703
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0111	0.1584	0.1539
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0032	0.0334	0.6451
Echinococcus granulosus	GPCR family 2	0.0037	0.0417	0.0619
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0111	0.1584	0.2672
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0032	0.0334	0.1069
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0033	0.0353	0.1051
Onchocerca volvulus		0.0031	0.0314	0.2
Mycobacterium ulcerans	membrane protein ComEA	0.004	0.0461	0.1553
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0042	0.0489	0.1523
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0032	0.0334	0.1069
Mycobacterium ulcerans	esterase/lipase LipP	0.0031	0.0308	0.097
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0025	0.0224	0.5699
Brugia malayi	MH2 domain containing protein	0.0116	0.1662	0.2739
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0032	0.0334	0.6451
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0033	0.0353	0.6897
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0308	0.052
Brugia malayi	beta-lactamase	0.0031	0.0308	0.0434
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0111	0.1584	0.2606
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0032	0.0334	0.1069
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0037	0.0417	0.0619
Mycobacterium tuberculosis	Conserved protein	0.0031	0.0308	0.0891
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0016	0.008	0.0095
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0031	0.0308	0.0891
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0033	0.0353	0.1051
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0031	0.0308	0.052
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0028	0.0273	0.5049
Onchocerca volvulus		0.0031	0.0308	0.1957
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0308	0.052
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0033	0.0353	0.1143
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0032	0.0334	0.0983
Trypanosoma cruzi	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0181	0.2679	1
Chlamydia trachomatis	acyl carrier protein	0.0014	0.0053	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0031	0.0308	0.097
Leishmania major	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0181	0.2679	1
Mycobacterium ulcerans	lipase LipD	0.0031	0.0308	0.097
Toxoplasma gondii	ABC1 family protein	0.0031	0.0308	0.8485
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0027	0.0246	0.0675
Schistosoma mansoni	hypothetical protein	0.0037	0.0417	0.0908
Brugia malayi	latrophilin 2 splice variant baaae	0.0081	0.1104	0.1789
Mycobacterium ulcerans	thioesterase	0.0016	0.0085	0.0122
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0026	0.0228	0.402
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.005	0.0614	0.0954
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0032	0.0334	0.0983
Treponema pallidum	nitrogen fixation protein (rnfC)	0.004	0.0461	1
Echinococcus multilocularis	muscleblind protein	0.0387	0.5927	0.5905
Echinococcus multilocularis	geminin	0.0268	0.4058	0.4026
Loa Loa (eye worm)	NADH-ubiquinone oxidoreductase 51 kDa subunit	0.0181	0.2679	0.452
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0042	0.0489	0.1523
Echinococcus granulosus	geminin	0.0268	0.4058	0.6817
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0033	0.0353	0.1143
Schistosoma mansoni	hypothetical protein	0.0037	0.0417	0.0908
Echinococcus multilocularis	GPCR, family 2	0.0037	0.0417	0.0366
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0111	0.1584	0.2606
Loa Loa (eye worm)	fatty acid synthase	0.002	0.0133	0.0225
Leishmania major	hypothetical protein, conserved	0.0031	0.0308	0.097
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0195	0.2911	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0031	0.0308	0.097
Mycobacterium ulcerans	polyketide synthase	0.0033	0.0353	0.1143
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0308	0.052
Trypanosoma brucei	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	0.0181	0.2679	1
Schistosoma mansoni	hypothetical protein	0.0081	0.1104	0.2624
Onchocerca volvulus		0.0031	0.0308	0.1957
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0546	0.0922
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0022	0.018	0.4207
Mycobacterium tuberculosis	Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F)	0.0181	0.2679	0.9189
Trichomonas vaginalis	NADH-ubiquinone oxidoreductase flavoprotein, putative	0.0181	0.2679	1
Plasmodium falciparum	acyl carrier protein	0.0014	0.0053	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0037	0.0417	0.0619
Schistosoma mansoni	hypothetical protein	0.0037	0.0417	0.0908
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0037	0.0417	0.0366
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0031	0.0308	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0308	0.052
Trypanosoma cruzi	hypothetical protein, conserved	0.0031	0.0308	0.097
Toxoplasma gondii	type I fatty acid synthase, putative	0.0027	0.0244	0.6355
Trypanosoma brucei	hypothetical protein, conserved	0.0031	0.0308	0.097
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0014	0.0053	0.5
Mycobacterium tuberculosis	Probable lipase LipD	0.0031	0.0308	0.0891
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.1662	0.2805
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0031	0.0308	0.0891
Trypanosoma brucei	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative	0.0181	0.2679	1
Mycobacterium tuberculosis	Conserved protein	0.0031	0.0308	0.0891
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0032	0.0334	0.0478
Schistosoma mansoni	hypothetical protein	0.0037	0.0417	0.0908
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0111	0.1584	0.3822
Trypanosoma cruzi	NADH-ubiquinone oxidoreductase, mitochondrial, putative	0.0181	0.2679	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0031	0.0308	0.0891
Echinococcus granulosus	muscleblind protein	0.0387	0.5927	1
Loa Loa (eye worm)	beta-lactamase	0.0031	0.0308	0.052
Mycobacterium tuberculosis	Probable hydrolase	0.0031	0.0308	0.0891
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0031	0.0314	0.0529
Mycobacterium ulcerans	hypothetical protein	0.0031	0.0308	0.097
Echinococcus granulosus	beta LACTamase domain containing family member	0.0031	0.0308	0.0434
Mycobacterium ulcerans	beta-lactamase	0.0031	0.0308	0.097
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1104	0.1862
Wolbachia endosymbiont of Brugia malayi	NADH dehydrogenase I subunit F	0.0181	0.2679	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0111	0.1584	0.3822
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0118	0.1696	0.2796
Brugia malayi	beta-lactamase family protein	0.0031	0.0308	0.0434
Mycobacterium tuberculosis	Polyketide synthetase MbtD (polyketide synthase)	0.0019	0.0118	0.0226
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0031	0.0308	0.0256
Mycobacterium tuberculosis	Conserved protein	0.0031	0.0308	0.0891
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0118	0.1696	0.2861
Mycobacterium ulcerans	polyketide synthase Pks9	0.0026	0.0228	0.0667
Mycobacterium ulcerans	thioesterase TesA	0.0016	0.0085	0.0122
Loa Loa (eye worm)	phosphopantetheine attachment site family protein	0.0014	0.0053	0.009
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0031	0.0308	0.0891
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0032	0.0334	0.0983
Mycobacterium tuberculosis	Probable lipase LipE	0.0031	0.0308	0.0891
Mycobacterium leprae	Polyketide synthase Pks13	0.0042	0.0489	1
Onchocerca volvulus		0.0047	0.0565	0.3935
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.0308	1
Echinococcus multilocularis	muscleblind protein 1	0.0387	0.5927	0.5905
Mycobacterium ulcerans	polyketide synthase	0.0032	0.0334	0.1069
Brugia malayi	Latrophilin receptor protein 2	0.0037	0.0417	0.0619
Mycobacterium ulcerans	NADH dehydrogenase I subunit F	0.0181	0.2679	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0026	0.0228	0.0667
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0236	0.3554	0.5996
Schistosoma mansoni	NADH-ubiquinone oxidoreductase	0.0181	0.2679	0.6557
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0033	0.0353	0.1051
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0016	0.0085	0.0112
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0031	0.0308	0.0636
Trichomonas vaginalis	NADH-ubiquinone oxidoreductase flavoprotein, putative	0.0181	0.2679	1
Brugia malayi	AMP-binding enzyme family protein	0.0019	0.0118	0.011
Echinococcus multilocularis	NADH dehydrogenase (ubiquinone) flavoprotein 1	0.0181	0.2679	0.264
Loa Loa (eye worm)	hypothetical protein	0.0387	0.5927	1
Mycobacterium leprae	conserved hypothetical protein	0.0031	0.0308	0.5852
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0037	0.0417	0.0619
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0014	0.0053	0.5
Mycobacterium ulcerans	polyketide synthase MbtD	0.0019	0.0118	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0417	0.0703
Mycobacterium ulcerans	polyketide synthase Pks13	0.0042	0.0489	0.1658
Onchocerca volvulus		0.0031	0.0308	0.1957
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0032	0.0324	0.0949
Loa Loa (eye worm)	acyl carrier protein	0.0014	0.0053	0.009
Echinococcus granulosus	NADH dehydrogenase ubiquinone flavoprotein 1	0.0181	0.2679	0.447
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0016	0.0085	0.0736
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0111	0.1584	0.1539
Brugia malayi	beta-lactamase family protein	0.0031	0.0308	0.0434
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0028	0.0273	0.0837
Mycobacterium leprae	Probable lipase LipE	0.0031	0.0308	0.5852
Brugia malayi	AMP-binding enzyme family protein	0.0031	0.0314	0.0443
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1696	0.2861
Toxoplasma gondii	type I fatty acid synthase, putative	0.0033	0.0353	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0037	0.0417	0.0366
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0033	0.0353	0.6897
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0031	0.0308	0.0434
Mycobacterium tuberculosis	Conserved hypothetical protein	0.004	0.0461	0.1427
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0033	0.0353	0.6897
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0031	0.0314	0.0911
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0308	0.052
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0111	0.1584	0.3822
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.1662	0.2805
Mycobacterium tuberculosis	Probable polyketide synthase Pks17	0.0017	0.0098	0.0157
Brugia malayi	follicle stimulating hormone receptor	0.0236	0.3554	0.5959
Brugia malayi	Muscleblind-like protein	0.0387	0.5927	1
Brugia malayi	NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor	0.0181	0.2679	0.447
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0111	0.1584	0.2606

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 841010