TDR Targets

Basic information

Technical information

TDR Targets ID: 1299218
Name: [2-[(2,6-diethylphenyl)amino]-2-oxoethyl] 2-c yano-3-(4-methoxyphenyl)prop-2-enoate
MW: 392.448 | Formula: C23H24N2O4
H donors: 1 H acceptors: 3 LogP: 4.6 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: N#C/C(=C\c1ccc(cc1)OC)/C(=O)OCC(=O)Nc1c(CC)cccc1CC
InChi: 1S/C23H24N2O4/c1-4-17-7-6-8-18(5-2)22(17)25-21(26)15-29-23(27)19(14-24)13-16-9-11-20(28-3)12-10-16/h6-13H,4-5,15H2,1-3H3,(H,25,26)/b19-13+
InChiKey: AOYAWUDLPQCAFY-CPNJWEJPSA-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-[(2,6-diethylphenyl)amino]-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
[2-[(2,6-diethylphenyl)amino]-2-oxo-ethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate
[2-[(2,6-diethylphenyl)amino]-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid [2-[(2,6-diethylphenyl)amino]-2-oxoethyl] ester
2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid [2-[(2,6-diethylphenyl)amino]-2-oxoethyl] ester
2-cyano-3-(4-methoxyphenyl)acrylic acid [2-[(2,6-diethylphenyl)amino]-2-keto-ethyl] ester
(E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-[(2,6-diethylphenyl)amino]-2-keto-ethyl] ester
MLS000389966
SMR000256240
T0506-8215
ZINC03255120

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
Leishmania major	glycerol uptake protein, putative	0.0042	0.3061	1
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0042	0.3061	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.2267	0.7248
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.3061	1
Trypanosoma cruzi	glycerol uptake protein, putative	0.0042	0.3061	1
Schistosoma mansoni	hypothetical protein	0.0036	0.2503	0.8176
Brugia malayi	MBOAT family protein	0.0042	0.3061	0.3061
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.2267	0.7248
Loa Loa (eye worm)	hypothetical protein	0.0033	0.2267	0.2267
Trypanosoma brucei	glycerol uptake protein, putative	0.0042	0.3061	1
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0042	0.3061	1
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0042	0.3061	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.3061	0.3061
Loa Loa (eye worm)	hypothetical protein	0.0042	0.3061	0.3061
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0177	0.0579
Brugia malayi	steroid hormone receptor	0.001	0.0177	0.0177
Loa Loa (eye worm)	hypothetical protein	0.001	0.0177	0.0177
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0042	0.3061	1
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0033	0.2267	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0177	0.0579
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0177	0.0177
Mycobacterium ulcerans	pyruvate kinase	0.0033	0.2267	0.5
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0042	0.3061	1
Brugia malayi	nuclear hormone receptor	0.001	0.0177	0.0177
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0177	0.0579
Echinococcus granulosus	pyruvate kinase	0.0033	0.2267	0.7407
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0177	0.0177
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0177	0.0579
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0177	0.0579
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.2503	0.8176
Leishmania major	glycerol uptake protein, putative	0.0042	0.3061	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0177	0.0177
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.136	0.136
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0042	0.3061	1
Schistosoma mansoni	pyruvate kinase	0.0033	0.2267	0.7407
Brugia malayi	Hhat protein	0.0042	0.3061	0.3061
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0177	0.0579
Loa Loa (eye worm)	hypothetical protein	0.0042	0.3061	0.3061
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0177	0.0579
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0177	0.0579
Toxoplasma gondii	hypothetical protein	0.0042	0.3061	1
Onchocerca volvulus		0.0042	0.3061	1
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.2267	0.2267
Entamoeba histolytica	hypothetical protein	0.0036	0.2503	0.6718
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0177	0.0579
Treponema pallidum	alginate O-acetylation protein (algI)	0.0042	0.3061	0.5
Schistosoma mansoni	hypothetical protein	0.0042	0.3061	1
Trypanosoma cruzi	glycerol uptake protein, putative	0.0042	0.3061	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0177	0.0177
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0177	0.0579
Loa Loa (eye worm)	hypothetical protein	0.0042	0.3061	0.3061
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.2267	0.2267
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	1	1
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0042	0.3061	1
Schistosoma mansoni	coup transcription factor	0.001	0.0177	0.0579
Loa Loa (eye worm)	hypothetical protein	0.001	0.0177	0.0177
Echinococcus granulosus	pyruvate kinase	0.0033	0.2267	0.7407
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0042	0.3061	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0177	0.0579
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0177	0.0177
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0177	0.0579
Leishmania major	hypothetical protein, conserved	0.0042	0.3061	1
Loa Loa (eye worm)	hhat protein	0.0042	0.3061	0.3061
Brugia malayi	hypothetical protein	0.0036	0.2503	0.2503
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0033	0.2267	0.2267
Schistosoma mansoni	sterol O-acyltransferase 1	0.0042	0.3061	1
Brugia malayi	nuclear receptor NHR-88	0.001	0.0177	0.0177
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0042	0.3061	1
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0042	0.3061	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0177	0.0177
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0808	0.2639
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0042	0.3061	0.3061
Loa Loa (eye worm)	MBOAT family protein	0.0042	0.3061	0.3061
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0177	0.0579
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0177	0.0177
Brugia malayi	Pyruvate kinase, alpha/beta domain containing protein	0.001	0.0176	0.0176
Trichomonas vaginalis	porcupine, putative	0.0042	0.3061	1
Echinococcus multilocularis	pyruvate kinase	0.0033	0.2267	0.7407
Echinococcus granulosus	pyruvate kinase	0.0017	0.0808	0.2639
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.2503	0.8176
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0042	0.3061	1
Entamoeba histolytica	vacuolar protein sorting 26	0.0042	0.3061	1
Trypanosoma cruzi	GUP1, putative	0.0042	0.3061	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0177	0.0177
Brugia malayi	MBOAT family protein	0.0042	0.3061	0.3061
Trypanosoma brucei	glycerol uptake protein, putative	0.0042	0.3061	1
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0042	0.3061	1
Entamoeba histolytica	hypothetical protein, conserved	0.0042	0.3061	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0177	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0177	0.0177
Echinococcus multilocularis	pyruvate kinase	0.0033	0.2267	0.7407
Chlamydia trachomatis	pyruvate kinase	0.0033	0.2267	0.5
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0042	0.3061	1
Brugia malayi	ecdysteroid receptor	0.001	0.0177	0.0177
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0042	0.3061	1
Echinococcus granulosus	pyruvate kinase	0.0017	0.0808	0.2639
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0177	0.0579
Echinococcus granulosus	pyruvate kinase	0.0017	0.0808	0.2639
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0177	0.0177
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.2267	0.7248
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0042	0.3061	1
Leishmania major	glycerol uptake protein, putative	0.0042	0.3061	1
Trypanosoma cruzi	GUP1, putative	0.0042	0.3061	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0177	0.0579
Loa Loa (eye worm)	hypothetical protein	0.001	0.0177	0.0177
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0177	0.0177
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0042	0.3061	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0177	0.0579
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0042	0.3061	1
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0177	0.0579
Loa Loa (eye worm)	hypothetical protein	0.001	0.0177	0.0177
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0042	0.3061	1
Plasmodium vivax	pyruvate kinase, putative	0.0033	0.2267	0.6478
Schistosoma mansoni	pyruvate kinase	0.0017	0.0808	0.2639
Loa Loa (eye worm)	hypothetical protein	0.0023	0.136	0.136
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0177	0.0579
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0808	0.2639
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0177	0.0579
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0177	0.0177
Loa Loa (eye worm)	hhat protein	0.0042	0.3061	0.3061
Plasmodium falciparum	pyruvate kinase	0.0033	0.2267	0.6478
Echinococcus multilocularis	sterol O acyltransferase 1	0.0042	0.3061	1
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0042	0.3061	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0177	0.0579
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0808	0.2639
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	1	1
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0042	0.3061	1
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.3061	1
Brugia malayi	MBOAT family protein	0.0042	0.3061	0.3061
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0177	0.0177
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0033	0.2267	0.2267
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0042	0.3061	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0177	0.0177
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0042	0.3061	1
Brugia malayi	diacylglycerol acyltransferase	0.0042	0.3061	0.3061
Loa Loa (eye worm)	MBOAT family protein	0.0042	0.3061	0.3061
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0177	0.0579
Leishmania major	glycerol uptake protein, putative	0.0042	0.3061	1
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0042	0.3061	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.2503	0.8176
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0177	0.0177
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0042	0.3061	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0177	0.0579
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0177	0.0177
Echinococcus multilocularis	pyruvate kinase	0.0026	0.1636	0.5343
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0033	0.2267	0.5
Schistosoma mansoni	pyruvate kinase	0.0033	0.2267	0.7407
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0042	0.3061	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0177	0.0177
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0177	0.0579
Entamoeba histolytica	hypothetical protein	0.0036	0.2503	0.6718
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.2267	0.2267
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0042	0.3061	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0177	0.0579
Entamoeba histolytica	hypothetical protein	0.0042	0.3061	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0177	0.0177
Loa Loa (eye worm)	MBOAT family protein	0.0042	0.3061	0.3061
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0042	0.3061	1
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0042	0.3061	1
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0042	0.3061	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0177	0.0579
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0177	0.0579
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0177	0.0579
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0177	0.0579
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.3061	1
Entamoeba histolytica	hypothetical protein	0.0036	0.2503	0.6718
Entamoeba histolytica	hypothetical protein	0.0036	0.2503	0.6718
Leishmania major	glycerol uptake protein, putative	0.0042	0.3061	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0177	0.0579
Brugia malayi	MBOAT family protein	0.0042	0.3061	0.3061
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0177	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0177	0.0177
Schistosoma mansoni	zinc finger protein	0.0042	0.3061	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0177	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0177	0.0177
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0042	0.3061	0.3061
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0177	0.0177
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0177	0.0579
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0177	0.0177
Echinococcus granulosus	sterol O acyltransferase 1	0.0042	0.3061	1
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0042	0.3061	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0177	0.0177
Brugia malayi	MBOAT family protein	0.0042	0.3061	0.3061
Loa Loa (eye worm)	hypothetical protein	0.001	0.0177	0.0177
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0177	0.0177
Trypanosoma cruzi	glycerol uptake protein, putative	0.0042	0.3061	1
Giardia lamblia	Pyruvate kinase	0.0033	0.2267	1
Toxoplasma gondii	pyruvate kinase PyK1	0.0033	0.2267	0.6478

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 99 uM	PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activators via a fluorescence-based single-stranded RNase assay counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504720, AID504743]	ChEMBL.	No reference
EC50 (functional)	> 99 uM	PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activators via a fluorescence-based single-stranded RNase assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504720, AID504743]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856]	ChEMBL.	No reference

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: CHEMBL1421456

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 1299218