TDR Targets

Basic information

Technical information

TDR Targets ID: 1291643
Name: N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]- 3,4,5-trimethoxybenzamide
MW: 434.913 | Formula: C22H27ClN2O5
H donors: 1 H acceptors: 1 LogP: 2.93 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(cc(c1OC)OC)C(=O)NCC(c1ccc(cc1)Cl)N1CCOCC1
InChi: 1S/C22H27ClN2O5/c1-27-19-12-16(13-20(28-2)21(19)29-3)22(26)24-14-18(25-8-10-30-11-9-25)15-4-6-17(23)7-5-15/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,26)
InChiKey: TYBYTTPXQIBEBU-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-chlorophenyl)-2-morpholino-ethyl]-3,4,5-trimethoxy-benzamide
N-[2-(4-chlorophenyl)-2-morpholinoethyl]-3,4,5-trimethoxybenzamide
N-[2-(4-chlorophenyl)-2-morpholin-4-yl-ethyl]-3,4,5-trimethoxy-benzamide
D303-0112
NCGC00118277-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038

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
Entamoeba histolytica	hypothetical protein	0.0035	0.0229	0.5
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0216	0.2734	0.8651
Brugia malayi	RNA binding protein	0.0273	0.3522	0.3522
Schistosoma mansoni	hypothetical protein	0.0035	0.0229	0.0313
Schistosoma mansoni	glycosyltransferase-related	0.0072	0.0736	0.1229
Brugia malayi	MH2 domain containing protein	0.005	0.0443	0.0443
Schistosoma mansoni	hypothetical protein	0.0195	0.2448	0.4325
Loa Loa (eye worm)	hypothetical protein	0.0216	0.2734	0.2734
Echinococcus granulosus	Smad4	0.005	0.0443	0.0723
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0229	0.0324
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0148	0.1797	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0616	0.8289	0.8289
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0069	0.0705	0.1213
Loa Loa (eye worm)	hypothetical protein	0.0421	0.5585	0.5585
Schistosoma mansoni	Smad4	0.005	0.0443	0.0699
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0195	0.2448	0.4475
Echinococcus multilocularis	tar DNA binding protein	0.0273	0.3522	0.6485
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0148	0.1797	0.3148
Brugia malayi	MH1 domain containing protein	0.005	0.0443	0.0443
Loa Loa (eye worm)	RNA binding protein	0.0273	0.3522	0.3522
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0229	0.0324
Echinococcus granulosus	GPCR family 2	0.0195	0.2448	0.4475
Schistosoma mansoni	tar DNA-binding protein	0.0273	0.3522	0.6268
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0056	0.0056
Onchocerca volvulus		0.0246	0.3151	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0195	0.2448	0.4475
Schistosoma mansoni	hypothetical protein	0.0195	0.2448	0.4325
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0148	0.1797	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0229	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0273	0.3522	0.3522
Echinococcus multilocularis	smad	0.005	0.0443	0.0723
Brugia malayi	Smad1	0.005	0.0443	0.0443
Brugia malayi	Isocitrate dehydrogenase	0.0148	0.1797	0.1797
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0148	0.1797	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0148	0.1797	0.3257
Loa Loa (eye worm)	hypothetical protein	0.0195	0.2448	0.2448
Loa Loa (eye worm)	TAR-binding protein	0.0273	0.3522	0.3522
Loa Loa (eye worm)	MH2 domain-containing protein	0.005	0.0443	0.0443
Entamoeba histolytica	hypothetical protein	0.0035	0.0229	0.5
Loa Loa (eye worm)	Smad1	0.005	0.0443	0.0443
Echinococcus granulosus	tumor protein p63	0.0408	0.54	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0273	0.3522	0.3522
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0148	0.1797	0.3257
Schistosoma mansoni	smad1 5 8 and	0.005	0.0443	0.0699
Brugia malayi	MH1 domain containing protein	0.0028	0.0131	0.0131
Brugia malayi	Latrophilin receptor protein 2	0.0195	0.2448	0.2448
Echinococcus granulosus	smad	0.005	0.0443	0.0723
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0148	0.1797	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0131	0.0131
Schistosoma mansoni	smad1 5 8 and	0.005	0.0443	0.0699
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0148	0.1797	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.005	0.0443	0.0723
Loa Loa (eye worm)	MH1 domain-containing protein	0.0023	0.0056	0.0056
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0616	0.8289	0.8289
Brugia malayi	MH2 domain containing protein	0.0023	0.0056	0.0056
Schistosoma mansoni	hypothetical protein	0.0421	0.5585	1
Schistosoma mansoni	smad	0.005	0.0443	0.0699
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0616	0.8289	0.8289
Brugia malayi	TAR-binding protein	0.0273	0.3522	0.3522
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.005	0.0443	0.0699
Echinococcus multilocularis	GPCR, family 2	0.0195	0.2448	0.4475
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0148	0.1797	0.3257
Brugia malayi	hypothetical protein	0.0026	0.0101	0.0101
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0148	0.1797	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0195	0.2448	0.4475
Brugia malayi	MH1 domain containing protein	0.005	0.0443	0.0443
Entamoeba histolytica	hypothetical protein	0.0035	0.0229	0.5
Brugia malayi	MH2 domain containing protein	0.005	0.0443	0.0443
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0148	0.1797	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0273	0.3522	0.6268
Loa Loa (eye worm)	pax transcription factor protein 2	0.0246	0.3151	0.3151
Schistosoma mansoni	smad1 5 8 and	0.005	0.0443	0.0699
Loa Loa (eye worm)	MH2 domain-containing protein	0.0023	0.0056	0.0056
Toxoplasma gondii	isocitrate dehydrogenase	0.0148	0.1797	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0148	0.1797	0.3257
Echinococcus multilocularis	Glycosyl transferase, family 8	0.0072	0.0736	0.1272
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.005	0.0443	0.0723
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0148	0.1797	0.3257
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0195	0.2448	0.2448
Brugia malayi	latrophilin 2 splice variant baaae	0.0421	0.5585	0.5585
Loa Loa (eye worm)	MH1 domain-containing protein	0.005	0.0443	0.0443
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0101	0.0101
Echinococcus multilocularis	mothers against decapentaplegic 5	0.005	0.0443	0.0723
Brugia malayi	Glycosyl transferase family 8 protein	0.0072	0.0736	0.0736
Brugia malayi	N-terminal motif family protein	0.0216	0.2734	0.2734
Brugia malayi	hypothetical protein	0.0035	0.0229	0.0229
Schistosoma mansoni	tar DNA-binding protein	0.0273	0.3522	0.6268
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0148	0.1797	0.1797
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0069	0.0705	0.1213
Echinococcus granulosus	glycosyltransferase protein LARGE2	0.0069	0.0705	0.1213
Schistosoma mansoni	tar DNA-binding protein	0.0273	0.3522	0.6268
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0148	0.1797	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0229	0.0313
Schistosoma mansoni	hypothetical protein	0.0195	0.2448	0.4325
Schistosoma mansoni	tar DNA-binding protein	0.0273	0.3522	0.6268
Loa Loa (eye worm)	nuclear factor I	0.0028	0.0131	0.0131
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0069	0.0705	0.1213
Echinococcus granulosus	mothers against decapentaplegic 5	0.005	0.0443	0.0723
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0195	0.2448	0.4475
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0148	0.1797	0.3257
Loa Loa (eye worm)	glycosyl transferase family 8 protein	0.0072	0.0736	0.0736
Brugia malayi	isocitrate dehydrogenase	0.0148	0.1797	0.1797
Echinococcus granulosus	Glycosyl transferase family 8	0.0072	0.0736	0.1272
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0195	0.2448	0.2448
Echinococcus multilocularis	Glycosyltransferase protein LARGE1	0.0053	0.048	0.0793
Onchocerca volvulus		0.006	0.0572	0.1666
Brugia malayi	MH1 domain containing protein	0.0028	0.0131	0.0131
Schistosoma mansoni	hypothetical protein	0.0195	0.2448	0.4325
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0572	0.0932
Brugia malayi	Pax transcription factor protein 2	0.0246	0.3151	0.3151
Echinococcus multilocularis	Smad4	0.005	0.0443	0.0723
Brugia malayi	mothers against decapentaplegic homolog 3	0.0023	0.0056	0.0056
Echinococcus granulosus	tar DNA binding protein	0.0273	0.3522	0.6485
Loa Loa (eye worm)	hypothetical protein	0.0616	0.8289	0.8289
Echinococcus multilocularis	conserved hypothetical protein	0.0053	0.048	0.0793
Toxoplasma gondii	isocitrate dehydrogenase	0.0148	0.1797	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0572	0.0572
Echinococcus granulosus	Glycosyltransferase protein LARGE1	0.0053	0.048	0.0793
Echinococcus multilocularis	tumor protein p63	0.0408	0.54	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.1259 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.2818 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.3162 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 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)	89.1251 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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: CHEMBL1397689

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1291643