TDR Targets

Basic information

Technical information

TDR Targets ID: 629333
Name: N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4 -yl)ethyl]propanamide
MW: 317.64 | Formula: C11H19Cl3N2O2
H donors: 1 H acceptors: 1 LogP: 2.56 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCC(=O)NC(C(Cl)(Cl)Cl)N1CC(C)OC(C1)C
InChi: 1S/C11H19Cl3N2O2/c1-4-9(17)15-10(11(12,13)14)16-5-7(2)18-8(3)6-16/h7-8,10H,4-6H2,1-3H3,(H,15,17)
InChiKey: VJEWQZCTQBQROB-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-[2,2,2-trichloro-1-(2,6-dimethyl-4-morpholinyl)ethyl]propanamide
N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]propionamide
BAS 00382515
N-[2,2,2-Trichloro-1-(2,6-dimethyl-morpholin-4-yl)-ethyl]-propionamide
AG-690/36516034

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
Echinococcus granulosus	twitchin	0.0054	0.0156	0.0156
Schistosoma mansoni	plexin	0.023	0.304	0.3037
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0004	0.0004
Brugia malayi	Plexin repeat family protein	0.023	0.304	0.3037
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0045	0.0004	0.5
Echinococcus multilocularis	neuroglian	0.0054	0.0156	0.0152
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0475	0.0475
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0258	0.3508	0.3505
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0475	0.5
Echinococcus multilocularis	roundabout 2	0.0066	0.0348	0.0345
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0223	0.2934	0.2931
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1368	0.1368
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0004	0.5
Echinococcus multilocularis		0.0286	0.3968	0.3965
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0282	0.0282
Echinococcus multilocularis	epidermal growth factor receptor	0.042	0.6171	0.6169
Schistosoma mansoni	plexin	0.0128	0.1368	0.1365
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0475	0.5
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0133	0.146	0.1457
Echinococcus granulosus	exocyst complex component 2	0.0045	0.0004	0.0004
Echinococcus multilocularis	hypothetical protein	0.0102	0.0943	0.094
Onchocerca volvulus		0.035	0.5015	0.8629
Echinococcus multilocularis	insulin receptor	0.0219	0.2867	0.2864
Schistosoma mansoni	tyrosine kinase	0.0653	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0475	0.5
Echinococcus granulosus	semaphorin 5B	0.0102	0.0943	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1095	0.1095
Entamoeba histolytica	tyrosin kinase, putative	0.0067	0.0369	1
Loa Loa (eye worm)	sema domain-containing protein	0.0102	0.0943	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0943	0.0943
Schistosoma mansoni	hypothetical protein	0.0128	0.1368	0.1365
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0118	0.1205	0.1202
Brugia malayi	plexin A	0.0274	0.3772	0.377
Loa Loa (eye worm)	TK/INSR protein kinase	0.0219	0.2867	0.2867
Echinococcus granulosus	roundabout 2	0.0066	0.0348	0.0348
Brugia malayi	Protein kinase domain containing protein	0.0219	0.2867	0.2864
Echinococcus multilocularis	plexin a4	0.0274	0.3772	0.377
Schistosoma mansoni	tyrosine kinase	0.0047	0.0045	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0004	0.0004
Loa Loa (eye worm)	sema domain-containing protein	0.0102	0.0943	0.0943
Loa Loa (eye worm)	hypothetical protein	0.023	0.304	0.304
Echinococcus granulosus	epidermal growth factor receptor	0.042	0.6171	0.6171
Brugia malayi	Tyrosine-protein kinase abl-1	0.0118	0.1205	0.1202
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0045	0.0004	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0004	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0475	0.0472
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0004	0.5
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0045	0.0004	0.5
Schistosoma mansoni	cell adhesion molecule	0.0048	0.0066	0.0063
Echinococcus granulosus	transcription factor collier	0.0045	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0255	0.3452	0.3449
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0004	0.5
Brugia malayi	Sema domain containing protein	0.0102	0.0943	0.094
Schistosoma mansoni	tyrosine kinase	0.0398	0.5806	0.5804
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0943	0.0943
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0416	0.6109	0.6108
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0475	0.0472
Brugia malayi	Cytochrome P450 family protein	0.0055	0.0168	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0282	0.0282
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0416	0.6109	0.6109
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0475	0.5
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0223	0.2934	0.2934
Schistosoma mansoni	tyrosine kinase	0.0398	0.5806	0.5804
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0943	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0004	0.0004
Loa Loa (eye worm)	TK/ABL protein kinase	0.0258	0.3508	0.3508
Schistosoma mansoni	tyrosine kinase	0.042	0.6171	0.6169
Schistosoma mansoni	tyrosine kinase	0.0219	0.2867	0.2864
Schistosoma mansoni	tyrosine kinase	0.042	0.6171	0.6169
Onchocerca volvulus	Tyrosine kinase homolog	0.0389	0.5663	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0943	0.0943
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0045	0.0004	0.5
Schistosoma mansoni	tyrosine kinase	0.0133	0.146	0.1457
Schistosoma mansoni	tyrosine kinase	0.0219	0.2867	0.2864
Brugia malayi	Immunoglobulin I-set domain containing protein	0.015	0.1742	0.1739
Loa Loa (eye worm)	plexin A	0.0274	0.3772	0.3772
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0133	0.146	0.146
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0475	0.0472
Brugia malayi	hypothetical protein	0.0102	0.0943	0.094
Brugia malayi	Tyrosine-protein kinase abl-1	0.0144	0.1628	0.1625
Schistosoma mansoni	semaphorin 5-related	0.0102	0.0943	0.094
Echinococcus granulosus	epidermal growth factor receptor	0.0653	1	1
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.042	0.6171	0.6171
Brugia malayi	hypothetical protein	0.0102	0.0943	0.094
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0004	0.5
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0258	0.3508	0.3508
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0653	1	1
Entamoeba histolytica	protein kinase domain containing protein	0.0067	0.0369	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0398	0.5806	0.5804
Echinococcus multilocularis	semaphorin 5B	0.0102	0.0943	0.094
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.0168	0.0168
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0133	0.146	0.146
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0004	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0943	0.0943
Onchocerca volvulus		0.023	0.304	0.4443
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0045	0.0004	0.5
Echinococcus granulosus	plexin a4	0.0274	0.3772	0.3772
Schistosoma mansoni	hypothetical protein	0.0102	0.0943	0.094
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0004	0.5
Echinococcus granulosus	insulin receptor	0.0219	0.2867	0.2867
Schistosoma mansoni	nephrin	0.0058	0.0222	0.0218
Echinococcus granulosus	neuroglian	0.0054	0.0156	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0943	0.0943
Schistosoma mansoni	hypothetical protein	0.0102	0.0943	0.094
Echinococcus multilocularis	epidermal growth factor receptor	0.0653	1	1
Echinococcus granulosus	semaphorin 1A	0.0102	0.0943	0.0943
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0475	0.5
Brugia malayi	Sema domain containing protein	0.0102	0.0943	0.094
Loa Loa (eye worm)	TK protein kinase	0.015	0.1742	0.1742
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0133	0.146	0.1457
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0475	0.5

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.

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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 629333