TDR Targets

Basic information

Technical information

TDR Targets ID: 1439034
Name: 2-(3,5-dimethylphenoxy)-N-[2-(morpholine-4-ca rbonyl)phenyl]acetamide
MW: 368.426 | Formula: C21H24N2O4
H donors: 1 H acceptors: 2 LogP: 3.16 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1C(=O)N1CCOCC1)COc1cc(C)cc(c1)C
InChi: 1S/C21H24N2O4/c1-15-11-16(2)13-17(12-15)27-14-20(24)22-19-6-4-3-5-18(19)21(25)23-7-9-26-10-8-23/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24)
InChiKey: YXWWFKGKDPZROL-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-(3,5-dimethylphenoxy)-N-[2-(morpholino-oxomethyl)phenyl]acetamide
2-(3,5-dimethylphenoxy)-N-(2-morpholin-4-ylcarbonylphenyl)ethanamide
ALD-N011912
ARONIS010895
2-(3,5-dimethylphenoxy)-N-[2-(4-morpholinylcarbonyl)phenyl]acetamide
AN-329/43100606
ZINC06703009

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0485	0.1786	0.4526
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.1058	0.5069	0.5069
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0618	0.2545	0.7985
Trichomonas vaginalis	conserved hypothetical protein	0.0244	0.0406	0.1028
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0174	0	0.5
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1919	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.067	0.2846	0.7213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0576	0.2303	0.5838
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0277	0.0591	0.1856
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0613	0.2518	0.6383
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0331	0.0902	0.2287
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0682	0.2915	0.7387
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0576	0.2303	0.5838
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0331	0.0902	0.2287
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1919	1	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0208	0.0199	0.0199
Trichomonas vaginalis	PIKK family atypical protein kinase	0.067	0.2846	0.7213
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.073	0.3186	0.8076
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0331	0.0902	0.0902
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0455	0.1611	0.4084
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.049	0.1814	0.5694
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.073	0.3186	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.0199	0.0503
Toxoplasma gondii	target of rapamycin (TOR), putative	0.067	0.2846	1
Loa Loa (eye worm)	hypothetical protein	0.0367	0.1109	0.2478
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0435	0.1498	0.1498
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0613	0.2518	0.6383
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.073	0.3186	0.3186
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0618	0.2545	0.6449
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.1058	0.5069	0.5069
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0277	0.0591	0.0591
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0277	0.0591	0.1499
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.073	0.3186	0.3186
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0635	0.2644	0.6701
Echinococcus granulosus	serine protein kinase ATM	0.0331	0.0902	0.0902
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0277	0.0591	0.1499
Trichomonas vaginalis	PIKK family atypical protein kinase	0.067	0.2846	0.7213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.067	0.2846	0.7213
Loa Loa (eye worm)	hypothetical protein	0.0208	0.0199	0.0444
Giardia lamblia	GTOR	0.073	0.3186	1
Loa Loa (eye worm)	hypothetical protein	0.0287	0.0647	0.1444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0331	0.0902	0.2287
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0682	0.2915	0.7387
Echinococcus multilocularis	serine protein kinase ATM	0.0331	0.0902	0.0902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.073	0.3186	0.8076
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0331	0.0902	0.0902
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0415	0.1381	0.3501
Loa Loa (eye worm)	hypothetical protein	0.0244	0.0406	0.0906
Loa Loa (eye worm)	hypothetical protein	0.0435	0.1498	0.3346
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.073	0.3186	0.3186
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.073	0.3186	0.3186
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0277	0.0591	0.1499
Entamoeba histolytica	hypothetical protein	0.0331	0.0902	0.2832
Trichomonas vaginalis	PIKK family atypical protein kinase	0.067	0.2846	0.7213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0426	0.1445	0.3663
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0435	0.1498	0.1498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.2574	0.6524
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.073	0.3186	0.3186
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0455	0.1611	0.4084
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0613	0.2518	0.2518
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1919	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.2575	0.6527
Loa Loa (eye worm)	hypothetical protein	0.0331	0.0902	0.2016
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0244	0.0406	0.0406
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.2574	0.6524
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1919	1	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0576	0.2303	0.5838
Brugia malayi	FAT domain containing protein	0.0244	0.0406	0.0406
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0277	0.0591	0.1856
Loa Loa (eye worm)	phosphatidylinositol 3	0.073	0.3186	0.7117
Trichomonas vaginalis	conserved hypothetical protein	0.0208	0.0199	0.0503
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1514	0.3837
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0218	0.0251	0.0637
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.2574	0.6524
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0613	0.2518	0.2518
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0682	0.2915	0.7387
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.2575	0.6527
Loa Loa (eye worm)	hypothetical protein	0.0287	0.0647	0.1444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0474	0.1721	0.4361
Toxoplasma gondii	FATC domain-containing protein	0.0331	0.0902	0.3171
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0331	0.0902	0.0902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0576	0.2303	0.5838
Trichomonas vaginalis	PIKK family atypical protein kinase	0.073	0.3186	0.8076
Loa Loa (eye worm)	phosphatidylinositol 3	0.0862	0.3945	0.8812
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0682	0.2915	0.7387
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0635	0.2644	0.6701
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0682	0.2916	0.739
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0682	0.2916	0.739
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.2575	0.6527
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0174	0	0.5
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0367	0.1109	0.3898
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.073	0.3186	0.3186
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.073	0.3186	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.073	0.3186	0.8076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0426	0.1445	0.3663
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0682	0.2915	0.7387
Trypanosoma cruzi	target of rapamycin kinase 3	0.0682	0.2916	0.2916
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0332	0.0907	0.2846
Trichomonas vaginalis	PIKK family atypical protein kinase	0.073	0.3186	0.8076
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.051	0.1927	0.6047
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0331	0.0902	0.0902
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0352	0.102	0.2495
Loa Loa (eye worm)	phosphatidylinositol 3	0.0955	0.4477	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0576	0.2303	0.5838
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0862	0.3945	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0862	0.3945	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0277	0.0591	0.0591
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0244	0.0406	0.0406
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0613	0.2518	0.6383
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0426	0.1445	0.3663
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0435	0.1498	0.1498
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0576	0.2303	0.5838
Trichomonas vaginalis	PIKK family atypical protein kinase	0.067	0.2846	0.7213
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.073	0.3186	0.8076
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0331	0.0902	0.0902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.067	0.2846	0.7213
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.1058	0.5069	0.5069
Entamoeba histolytica	protein kinase rad3, putative	0.0331	0.0902	0.2832
Schistosoma mansoni	hypothetical protein	0.0244	0.0406	0.0406
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0277	0.0591	0.1499
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0445	0.1555	0.1555
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0331	0.0902	0.0902
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.073	0.3186	0.8076
Trichomonas vaginalis	conserved hypothetical protein	0.0367	0.1109	0.2812
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0862	0.3945	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0613	0.2518	0.7903
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0331	0.0902	0.0902
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0331	0.0902	0.0902
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0613	0.2518	0.2518
Entamoeba histolytica	hypothetical protein	0.051	0.1927	0.6047
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0623	0.2575	0.6527
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0277	0.0591	0.0591
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1919	1	1
Loa Loa (eye worm)	hypothetical protein	0.0178	0.0025	0.0055

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	18.526 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)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	23.7781 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	84.9214 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	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: CHEMBL1601521

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1439034