TDR Targets

Basic information

Technical information

TDR Targets ID: 1722233
Name: (2Z)-4-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[3-m ethoxy-4-(4-methylimidazol-1-yl)phenyl]methyl idene]-6,6-dimethylmorpholin-3-one
MW: 449.517 | Formula: C26H28FN3O3
H donors: 0 H acceptors: 2 LogP: 4.5 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1n1cnc(c1)C)/C=C/1\OC(C)(C)CN(C1=O)[C@H](c1ccc(cc1)F)C
InChi: 1S/C26H28FN3O3/c1-17-14-29(16-28-17)22-11-6-19(12-23(22)32-5)13-24-25(31)30(15-26(3,4)33-24)18(2)20-7-9-21(27)10-8-20/h6-14,16,18H,15H2,1-5H3/b24-13-/t18-/m0/s1
InChiKey: CJFOXKHAYNLQIB-DNNAEVNTSA-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

(2Z)-4-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylene]-6,6-dimethyl-morpholin-3-one
(2Z)-4-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[3-methoxy-4-(4-methyl-1-imidazolyl)phenyl]methylene]-6,6-dimethyl-3-morpholinone
(2Z)-4-[(1S)-1-(4-fluorophenyl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)benzylidene]-6,6-dimethyl-morpholin-3-one
(2Z)-4-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,6-dimethyl-morpholin-3-one

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	target of rapamycin (TOR) kinase 2, putative	0.0039	0.0748	0.5657
Leishmania major	hypothetical protein, conserved	0.0045	0.097	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0522	0.0557
Brugia malayi	hypothetical protein	0.0029	0.0388	0.0109
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0458	0.556
Trichomonas vaginalis	penicillin-binding protein, putative	0.0033	0.0522	0.6538
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0039	0.0748	0.0688
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0522	0.0557
Brugia malayi	beta-lactamase family protein	0.0033	0.0522	0.0557
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0384	0.444
Leishmania major	hypothetical protein, conserved	0.0033	0.0522	0.1228
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0033	0.0535	0.0473
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0039	0.0748	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0033	0.0522	0.0557
Schistosoma mansoni	hypothetical protein	0.0061	0.1548	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0039	0.0748	0.5657
Loa Loa (eye worm)	MH2 domain-containing protein	0.0109	0.3332	1
Schistosoma mansoni	hypothetical protein	0.0028	0.0356	0.1962
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0281	0.2856
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0039	0.0748	0.0688
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0095	0.0018
Trypanosoma cruzi	PAB1-binding protein , putative	0.0045	0.097	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0458	0.556
Echinococcus granulosus	GPCR family 2	0.0028	0.0356	0.0293
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0089	0.2575	0.7455
Mycobacterium ulcerans	esterase/lipase LipP	0.0033	0.0522	0.5
Toxoplasma gondii	ABC1 family protein	0.0033	0.0522	0.2343
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0033	0.0522	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0033	0.0522	0.046
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.11	0.1042
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0384	0.444
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0891	0.1797
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0748	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0384	0.444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0095	0.0018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0177	0.1267
Schistosoma mansoni	hypothetical protein	0.0028	0.0356	0.1962
Brugia malayi	beta-lactamase	0.0033	0.0522	0.0557
Mycobacterium ulcerans	lipase LipD	0.0033	0.0522	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0028	0.0356	0.0293
Schistosoma mansoni	hypothetical protein	0.0028	0.0356	0.1962
Loa Loa (eye worm)	phosphatidylinositol 3	0.0039	0.0748	0.1318
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0458	0.556
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0541	0.6827
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0177	0.1267
Giardia lamblia	GTOR	0.0039	0.0748	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0028	0.0356	0.0293
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0039	0.0748	0.7711
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0033	0.0535	0.0473
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0748	1
Trichomonas vaginalis	esterase, putative	0.0033	0.0522	0.6538
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.11	0.698
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0522	0.1228
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0384	0.444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.025	0.2387
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0095	0.0018
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0208	0.6949	1
Brugia malayi	hypothetical protein	0.0045	0.097	0.2064
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1548	0.4005
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0028	0.0356	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0045	0.097	0.2064
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0089	0.2575	0.7455
Schistosoma mansoni	hypothetical protein	0.0033	0.0535	0.3172
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0522	0.6538
Toxoplasma gondii	LsmAD domain-containing protein	0.0045	0.097	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0045	0.097	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0522	0.6538
Loa Loa (eye worm)	beta-lactamase	0.0033	0.0522	0.0557
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0039	0.0748	0.7711
Brugia malayi	hypothetical protein	0.0033	0.0535	0.0603
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0089	0.2575	0.7455
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0033	0.0522	0.308
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0033	0.0522	0.308
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.11	0.1042
Brugia malayi	MH2 domain containing protein	0.0109	0.3332	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0033	0.0522	0.046
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0384	0.444
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.11	0.698
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0384	0.444
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0039	0.0748	0.5657
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0522	0.0557
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0031	0.0459	0.473
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0028	0.0356	0.0293
Trichomonas vaginalis	penicillin-binding protein, putative	0.0033	0.0522	0.6538
Onchocerca volvulus		0.0043	0.0891	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0458	0.556
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.11	0.1042
Plasmodium falciparum	ataxin-2 like protein, putative	0.0045	0.097	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0045	0.097	0.5
Mycobacterium leprae	Probable lipase LipE	0.0033	0.0522	0.5
Schistosoma mansoni	hypothetical protein	0.0028	0.0356	0.1962
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.11	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0089	0.2575	0.7455
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0748	1
Schistosoma mansoni	cellular tumor antigen P53	0.0043	0.0891	0.5569
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0039	0.0748	0.5657
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0095	0.0018
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.11	0.25
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0177	0.1267
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0168	0.1138
Trypanosoma cruzi	PAB1-binding protein , putative	0.0045	0.097	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0039	0.0748	0.1318
Mycobacterium leprae	conserved hypothetical protein	0.0033	0.0522	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0522	0.0557
Brugia malayi	beta-lactamase family protein	0.0033	0.0522	0.0557
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0522	0.6538
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0522	0.1228
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.11	0.698
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.11	0.25
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0039	0.0748	0.4607
Echinococcus multilocularis	GPCR, family 2	0.0028	0.0356	0.0293
Trypanosoma brucei	PAB1-binding protein , putative	0.0045	0.097	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0168	0.1138
Trypanosoma brucei	hypothetical protein, conserved	0.0033	0.0522	0.5377
Schistosoma mansoni	transcription factor LCR-F1	0.0033	0.0535	0.3172
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0522	0.0557
Brugia malayi	latrophilin 2 splice variant baaae	0.0061	0.1548	0.4005
Loa Loa (eye worm)	transcription factor SMAD2	0.0109	0.3332	1
Mycobacterium ulcerans	hypothetical protein	0.0033	0.0522	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0458	0.556
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0384	0.444
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0033	0.0522	0.0557
Mycobacterium ulcerans	beta-lactamase	0.0033	0.0522	0.5
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0039	0.0748	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0522	0.0557

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.

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: CHEMBL2151110

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1722233