TDR Targets

Basic information

Technical information

TDR Targets ID: 1413415
Name: N'-[2-(4-chlorophenoxy)ethyl]-N-(2,6-dimethyl phenyl)oxamide
MW: 346.808 | Formula: C18H19ClN2O3
H donors: 2 H acceptors: 2 LogP: 3.83 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(=O)Nc1c(C)cccc1C)NCCOc1ccc(cc1)Cl
InChi: 1S/C18H19ClN2O3/c1-12-4-3-5-13(2)16(12)21-18(23)17(22)20-10-11-24-15-8-6-14(19)7-9-15/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChiKey: IRDKRZAGSPPJNP-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'-[2-(4-chlorophenoxy)ethyl]-N-(2,6-dimethylphenyl)ethanediamide
BAS 01172236
N-[2-(4-Chloro-phenoxy)-ethyl]-N'-(2,6-dimethyl-phenyl)-oxalamide
MLS000563423
SMR000176587
ZINC03073541

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	thyroid hormone receptor	0.0009	0.0003	0.0004
Echinococcus granulosus	carbonic anhydrase	0.0593	0.3797	0.4206
Brugia malayi	Cytochrome P450 family protein	0.0024	0.01	0.0107
Schistosoma mansoni	thyroid hormone receptor	0.0009	0.0003	0.0004
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0069	0.0072
Schistosoma mansoni	cpg binding protein	0.0036	0.0179	0.0198
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0593	0.3797	0.4204
Schistosoma mansoni	retinoic acid receptor RXR	0.0009	0.0003	0.0004
Echinococcus multilocularis	cpg binding protein	0.0036	0.0179	0.0198
Onchocerca volvulus		0.0043	0.0227	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0009	0.0003	0.0004
Echinococcus multilocularis	carbonic anhydrase	0.0593	0.3797	0.4206
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0009	0.0003	0.0004
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0009	0.0003	0.0004
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0009	0.0003	0.0004
Loa Loa (eye worm)	carbonic anhydrase 3	0.1399	0.9028	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0227	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0227	0.0248
Brugia malayi	beta-lactamase family protein	0.0043	0.0227	0.0248
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0009	0.0003	0.0004
Brugia malayi	beta-lactamase	0.0043	0.0227	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0593	0.3797	0.4204
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0227	0.0252
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0065	0.0364	0.0383
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0072	0.0414	0.0459
Entamoeba histolytica	carbonic anhydrase, putative	0.1204	0.7764	0.5
Brugia malayi	beta-lactamase family protein	0.0043	0.0227	0.0248
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0593	0.3797	0.4204
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0227	0.5
Schistosoma mansoni	hypothetical protein	0.0593	0.3797	0.4206
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0684	0.4383	0.6502
Loa Loa (eye worm)	hypothetical protein	0.0593	0.3797	0.4204
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0227	0.0248
Trichomonas vaginalis	conserved hypothetical protein	0.1549	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0336	0.0368
Brugia malayi	CXXC zinc finger family protein	0.0034	0.0166	0.018
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0009	0.0003	0.0004
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0069	0.0076
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.1028	0.6619	1
Schistosoma mansoni	carbonic anhydrase	0.1204	0.7764	0.86
Trypanosoma brucei	carbonic anhydrase-like protein	0.1399	0.9028	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0593	0.3797	0.4204
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0069	0.0076
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0336	0.0368
Echinococcus multilocularis	carbonic anhydrase	0.0593	0.3797	0.4206
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0009	0.0003	0.0004
Schistosoma mansoni	coup transcription factor	0.0009	0.0003	0.0004
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0009	0.0003	0.0004
Echinococcus granulosus	carbonic anhydrase II	0.1399	0.9028	1
Trichomonas vaginalis	conserved hypothetical protein	0.1549	1	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1399	0.9028	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0227	0.0248
Leishmania major	carbonic anhydrase family protein, putative	0.1204	0.7764	0.8564
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0009	0.0003	0.0004
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0009	0.0003	0.0004
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0013	0.001
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1399	0.9028	1
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0013	0.0011
Onchocerca volvulus		0.0043	0.0227	1
Echinococcus multilocularis	carbonic anhydrase II	0.1399	0.9028	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.1748	0.238
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0593	0.3797	0.4204
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0069	0.0076
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.1399	0.9028	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0069	0.0072
Schistosoma mansoni	carbonic anhydrase-related	0.0593	0.3797	0.4206
Echinococcus granulosus	carbonic anhydrase	0.0593	0.3797	0.4206
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0521	0.3326	0.4849
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0227	0.0248
Schistosoma mansoni	carbonic anhydrase-related	0.0593	0.3797	0.4206
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0069	0.0076
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0009	0.0003	0.0004
Onchocerca volvulus		0.0043	0.0227	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0212	0.0231
Echinococcus granulosus	GPCR family 2	0.0019	0.0069	0.0076
Leishmania major	carbonic anhydrase-like protein	0.1399	0.9028	1
Plasmodium falciparum	carbonic anhydrase	0.0593	0.3797	0.5
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0009	0.0003	0.0004
Schistosoma mansoni	hypothetical protein	0.0019	0.0069	0.0076
Schistosoma mansoni	carbonic anhydrase	0.0593	0.3797	0.4206
Echinococcus granulosus	FTZ F1 alpha	0.0009	0.0003	0.0004
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0227	0.0248
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0034	0.0166	0.018
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0069	0.0076
Schistosoma mansoni	hypothetical protein	0.0019	0.0069	0.0076
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1399	0.9028	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0009	0.0003	0.0004
Loa Loa (eye worm)	cytochrome P450 family protein	0.0024	0.01	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0593	0.3797	0.4204
Schistosoma mansoni	hypothetical protein	0.0019	0.0069	0.0076
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1399	0.9028	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0009	0.0003	0.0004
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0009	0.0003	0.0004
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1399	0.9028	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0009	0.0003	0.0004
Echinococcus granulosus	ecdysone induced protein 78C	0.0009	0.0003	0.0004
Schistosoma mansoni	RAR-like nuclear receptor	0.0009	0.0003	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0069	0.0072
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0227	0.0252
Schistosoma mansoni	carbonic anhydrase-related	0.0593	0.3797	0.4206
Schistosoma mansoni	cpg binding protein	0.0036	0.0179	0.0198
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0009	0.0003	0.0004
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0009	0.0003	0.0004
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0593	0.3797	0.4204
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0212	0.0231
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0593	0.3797	0.4204
Onchocerca volvulus		0.0034	0.0166	0.7273
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0009	0.0003	0.0004
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0069	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0227	0.0248
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.1204	0.7764	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0013	0.0015
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0013	0.0015
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1399	0.9028	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0227	0.0248
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0227	0.0252
Loa Loa (eye worm)	hypothetical protein	0.006	0.0336	0.0368
Echinococcus multilocularis	carbonic anhydrase	0.0593	0.3797	0.4206
Schistosoma mansoni	cpg binding protein	0.0034	0.0166	0.0184
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0009	0.0003	0.0004
Schistosoma mansoni	hypothetical protein	0.0041	0.0212	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0227	0.0248
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0009	0.0003	0.0004
Echinococcus granulosus	carbonic anhydrase	0.0593	0.3797	0.4206
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0336	0.0368
Schistosoma mansoni	nuclear hormone receptor	0.0009	0.0003	0.0004
Mycobacterium ulcerans	carbonic anhydrase	0.1204	0.7764	0.7712
Toxoplasma gondii	hypothetical protein	0.0593	0.3797	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0069	0.0076
Echinococcus granulosus	cpg binding protein	0.0036	0.0179	0.0198
Echinococcus multilocularis	FTZ F1 alpha	0.0009	0.0003	0.0004
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0227	0.0252
Echinococcus multilocularis	ecdysone induced protein 78C	0.0009	0.0003	0.0004

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.4125 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)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.7865 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 (binding)	= 31.6228 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)	95.2834 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	100 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	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: CHEMBL1549461

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 1413415