TDR Targets

Basic information

Technical information

TDR Targets ID: 711952
Name: 2-ethyl-N-[3-(morpholine-4-carbonyl)phenyl]bu tanamide
MW: 304.384 | Formula: C17H24N2O3
H donors: 1 H acceptors: 2 LogP: 1.94 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCC(C(=O)Nc1cccc(c1)C(=O)N1CCOCC1)CC
InChi: 1S/C17H24N2O3/c1-3-13(4-2)16(20)18-15-7-5-6-14(12-15)17(21)19-8-10-22-11-9-19/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,18,20)
InChiKey: BHVJMNDBNRYAPB-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

2-ethyl-N-[3-(morpholino-oxomethyl)phenyl]butanamide
2-ethyl-N-[3-(morpholine-4-carbonyl)phenyl]butyramide
2-ethyl-N-(3-morpholin-4-ylcarbonylphenyl)butanamide
MLS000065071
SMR000078465
ZINC00614940
STK175897
2-ethyl-N-[3-(4-morpholinylcarbonyl)phenyl]butanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Human immunodeficiency virus 1	Aberrant vpr protein	Starlite/ChEMBL	No references
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0117	0.3747	0.428
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0771	0.1896
Brugia malayi	Bromodomain containing protein	0.0046	0.1148	0.1311
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0061	0.171	0.4452
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0771	0.1896
Loa Loa (eye worm)	MH1 domain-containing protein	0.0017	0.0075	0.0086
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0117	0.3747	1
Echinococcus granulosus	zinc finger protein	0.0024	0.0313	0.0648
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0675	0.1634
Echinococcus multilocularis	ubiquitin specific protease 41	0.0117	0.3747	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0485	0.0554
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0438	0.5
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0057	0.1557	0.1779
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.1211	0.3094
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0106	0.3343	0.3818
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0106	0.3343	0.3818
Brugia malayi	PHD-finger family protein	0.003	0.0551	0.063
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0675	0.0771
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0117	0.3747	0.428
Brugia malayi	intermediate filament protein	0.0028	0.0485	0.0554
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0117	0.3747	0.5
Brugia malayi	hypothetical protein	0.0017	0.0084	0.0096
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0864	0.2147
Echinococcus granulosus	histone lysine methyltransferase setb	0.0057	0.1532	0.3966
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0675	0.1634
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1342	0.1533
Loa Loa (eye worm)	transcription factor SMAD2	0.0252	0.8755	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1211	0.3094
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0117	0.3747	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0117	0.3747	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.1211	0.1384
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1211	0.3094
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1211	0.3094
Echinococcus multilocularis	musashi	0.0028	0.0485	0.1115
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0675	0.0771
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0485	0.0554
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0061	0.171	0.4452
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.0201	0.0342
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0061	0.171	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0675	0.0771
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.1042	0.2634
Schistosoma mansoni	hypothetical protein	0.0033	0.0675	0.1634
Leishmania major	hypothetical protein, conserved	0.0027	0.0438	0.0869
Brugia malayi	Smad1	0.0017	0.0075	0.0086
Echinococcus multilocularis	lamin	0.0028	0.0485	0.1115
Schistosoma mansoni	hypothetical protein	0.0033	0.0675	0.1634
Schistosoma mansoni	zinc finger protein	0.0024	0.0313	0.0648
Echinococcus granulosus	lamin	0.0028	0.0485	0.1115
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1257	0.1435
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0117	0.3747	1
Echinococcus multilocularis	lamin dm0	0.0028	0.0485	0.1115
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.2102	0.5519
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0201	0.0342
Loa Loa (eye worm)	MH2 domain-containing protein	0.0252	0.8755	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1532	0.1749
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0117	0.3747	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0675	0.1634
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0485	0.1115
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0864	0.2147
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0057	0.1532	0.3966
Echinococcus granulosus	GPCR family 2	0.0033	0.0675	0.1634
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0722	0.1762
Echinococcus granulosus	lamin dm0	0.0028	0.0485	0.1115
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0864	0.2147
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0057	0.1532	0.3966
Brugia malayi	hypothetical protein	0.0039	0.0864	0.0987
Brugia malayi	MH2 domain containing protein	0.0017	0.0075	0.0086
Brugia malayi	MH2 domain containing protein	0.0252	0.8755	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0771	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.1211	0.3094
Schistosoma mansoni	lamin	0.0028	0.0485	0.1115
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0466	0.0532
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0117	0.3747	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0061	0.171	0.1953
Schistosoma mansoni	bromodomain containing protein	0.0076	0.2262	0.5954
Echinococcus multilocularis	zinc finger protein	0.0024	0.0313	0.0648
Schistosoma mansoni	hypothetical protein	0.0018	0.0123	0.0129
Schistosoma mansoni	zinc finger protein	0.0018	0.0123	0.0129
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.0201	0.0342
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.1211	0.1384
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0675	0.1634
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.1042	0.2634
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0675	0.1634
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0675	0.0771
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0061	0.171	0.5
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0117	0.3747	1
Schistosoma mansoni	hypothetical protein	0.0072	0.2108	0.5536
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0228	0.0261
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0117	0.3747	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0061	0.171	0.5
Brugia malayi	Pre-SET motif family protein	0.0251	0.8718	0.9958
Brugia malayi	hypothetical protein	0.0027	0.0438	0.05
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.2102	0.5519
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0446	0.1008
Echinococcus granulosus	intermediate filament protein	0.0028	0.0485	0.1115
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0485	0.0554
Onchocerca volvulus		0.0036	0.0771	0.0301
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.8718	0.9958
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0675	0.1634
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.1211	0.3094
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.1211	0.3094
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0117	0.3747	1
Plasmodium vivax	SET domain protein, putative	0.0036	0.0771	1
Schistosoma mansoni	lamin	0.0028	0.0485	0.1115
Echinococcus granulosus	ubiquitin specific protease 41	0.0117	0.3747	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.2593	0.2962
Loa Loa (eye worm)	hypothetical protein	0.0106	0.3343	0.3818
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0106	0.3343	0.3818
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0117	0.3747	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0061	0.171	0.4452
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0201	0.0342
Trichomonas vaginalis	set domain proteins, putative	0.0286	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0438	0.05
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0438	0.0869
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0438	0.0869
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0057	0.1532	0.3966
Brugia malayi	MH2 domain containing protein	0.0017	0.0075	0.0086
Schistosoma mansoni	hypothetical protein	0.0025	0.0361	0.0777
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0117	0.3747	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0446	0.1008
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0361	0.0412
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0061	0.171	0.4379
Brugia malayi	MH1 domain containing protein	0.0017	0.0075	0.0086
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.2108	0.2408
Schistosoma mansoni	hypothetical protein	0.0039	0.0864	0.2147
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0771	0.1896
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1151	0.1315
Loa Loa (eye worm)	Smad1	0.0017	0.0075	0.0086
Brugia malayi	MH1 domain containing protein	0.0017	0.0075	0.0086
Loa Loa (eye worm)	MH2 domain-containing protein	0.0017	0.0075	0.0086
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0446	0.1008
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0438	0.0869
Loa Loa (eye worm)	hypothetical protein	0.0072	0.2108	0.2408
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0438	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0485	0.0554
Brugia malayi	Bromodomain containing protein	0.0091	0.2784	0.318
Schistosoma mansoni	hypothetical protein	0.0033	0.0675	0.1634
Brugia malayi	Pre-SET motif family protein	0.0036	0.0771	0.0881

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.2936 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	1.9953 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (binding)	= 5.6234 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1301065
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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 711952