TDR Targets

Basic information

Technical information

TDR Targets ID: 268629
Name: 4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methy l]-4-methylmorpholin-4-ium-2-yl]methyl]-2-eth oxybenzamide iodide
MW: 580.286 | Formula: C22H28Cl2IN3O3
H donors: 2 H acceptors: 1 LogP: 4.21 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: CCOc1cc(N)c(cc1C(=O)NCC1OCC[N+](C1)(C)Cc1ccccc1Cl)Cl.[I-]
InChi: 1S/C22H27Cl2N3O3.HI/c1-3-29-21-11-20(25)19(24)10-17(21)22(28)26-12-16-14-27(2,8-9-30-16)13-15-6-4-5-7-18(15)23;/h4-7,10-11,16H,3,8-9,12-14H2,1-2H3,(H2-,25,26,28);1H
InChiKey: UNJVDRGWCTYSGH-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

4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-4-methyl-morpholin-4-ium-2-yl]methyl]-2-ethoxy-benzamide iodide
4-amino-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-4-methyl-2-morpholin-4-iumyl]methyl]-2-ethoxybenzamide iodide
4-azanyl-5-chloro-N-[[4-[(2-chlorophenyl)methyl]-4-methyl-morpholin-4-ium-2-yl]methyl]-2-ethoxy-benzamide iodide
4-amino-5-chloro-N-[[4-(2-chlorobenzyl)-4-methyl-morpholin-4-ium-2-yl]methyl]-2-ethoxy-benzamide iodide

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
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0997	0.1667
Loa Loa (eye worm)	matrixin family protein	0.0222	0.5015	0.8383
Treponema pallidum	polypeptide deformylase (def)	0.0274	0.6911	0.5
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0997	0.1667
Brugia malayi	Peptidase family M13 containing protein	0.0112	0.0997	0.0184
Mycobacterium ulcerans	hydrolase	0.0137	0.1889	0.1508
Brugia malayi	Matrixin family protein	0.0112	0.0997	0.0184
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0249	0.5982	1
Brugia malayi	Matrixin family protein	0.0112	0.0997	0.0184
Brugia malayi	Matrixin family protein	0.0112	0.0997	0.0184
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0105	0.0722	0.5
Mycobacterium leprae	PROBABLE HYDROLASE	0.0137	0.1889	0.1508
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0137	0.1889	0.1508
Leishmania major	polypeptide deformylase-like protein, putative	0.0105	0.0722	0.5
Mycobacterium ulcerans	peptide deformylase	0.0274	0.6911	1
Loa Loa (eye worm)	matrix metalloproteinase	0.0112	0.0997	0.1667
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0112	0.0997	0.9992
Loa Loa (eye worm)	hypothetical protein	0.0137	0.1889	0.3158
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0997	0.1667
Loa Loa (eye worm)	matrixin family protein	0.0249	0.5982	1
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0112	0.0997	1
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0274	0.6911	0.5
Onchocerca volvulus	Matrilysin homolog	0.0112	0.0997	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0997	0.1667
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0105	0.0722	0.5
Trypanosoma brucei	Peptide deformylase 2	0.0105	0.0722	0.5
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0997	0.1667
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0112	0.0997	0.0184
Onchocerca volvulus		0.0112	0.0997	0.0149
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0105	0.0722	0.5
Plasmodium vivax	peptide deformylase, putative	0.0274	0.6911	0.5
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0359	1	1
Trypanosoma brucei	Polypeptide deformylase 1	0.0105	0.0722	0.5
Brugia malayi	Matrixin family protein	0.0112	0.0997	0.0184
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0274	0.6911	1
Toxoplasma gondii	hypothetical protein	0.0274	0.6911	1
Plasmodium falciparum	peptide deformylase	0.0274	0.6911	0.5
Chlamydia trachomatis	peptide deformylase	0.0274	0.6911	0.5
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0997	0.1667
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0105	0.0722	0.5
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0137	0.1889	0.2363
Brugia malayi	Matrixin family protein	0.0222	0.5015	1
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0274	0.6911	1
Onchocerca volvulus	Matrilysin homolog	0.0249	0.5982	1

Activities

Activity type	Activity value	Assay description	Source	Reference
GE (functional)	= 34 %	Gastric emptying of phenol red semisolid meal in rats at dose of 2.0 mg/kg ,administered perorally.	ChEMBL.	1995885

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

PubChem: 14877446

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 268629