TDR Targets

Basic information

Technical information

TDR Targets ID: 1445487
Name: 2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1 -yl)phenyl]acetamide
MW: 339.431 | Formula: C20H25N3O2
H donors: 1 H acceptors: 1 LogP: 3.1 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)c1ccccc1NC(=O)COc1cccc(c1)C
InChi: 1S/C20H25N3O2/c1-16-6-5-7-17(14-16)25-15-20(24)21-18-8-3-4-9-19(18)23-12-10-22(2)11-13-23/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChiKey: LCZXUQMWBHAHOF-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-methylphenoxy)-N-[2-(4-methyl-1-piperazinyl)phenyl]acetamide
2-(3-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]ethanamide
BAS 10784871
N-[2-(4-Methyl-piperazin-1-yl)-phenyl]-2-m-tolyloxy-acetamide
STOCK6S-13339

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0849	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0157	0	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0849	1	1
Leishmania major	cathepsin L-like protease	0.0849	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0849	1	1
Echinococcus granulosus	cathepsin L	0.0438	0.4054	0.4054
Onchocerca volvulus		0.0849	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0281	0.1791	0.1791
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0849	1	1
Entamoeba histolytica	cysteine protease, putative	0.0438	0.4054	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0569	0.5946	0.5946
Giardia lamblia	Cathepsin L-like protease	0.0157	0	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0849	1	1
Entamoeba histolytica	cysteine protease, putative	0.0438	0.4054	0.4054
Leishmania major	cathepsin L-like protease	0.0849	1	1
Giardia lamblia	Cathepsin L precursor	0.0157	0	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0849	1	1
Brugia malayi	Cathepsin L-like precursor	0.0849	1	1
Giardia lamblia	Cysteine protease	0.0157	0	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0849	1	1
Loa Loa (eye worm)	hypothetical protein	0.0281	0.1791	0.1791
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0281	0.1791	0.1791
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0849	1	1
Giardia lamblia	Cathepsin B precursor	0.0157	0	0.5
Leishmania major	cathepsin L-like protease	0.0849	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0849	1	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0281	0.1791	0.1791
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0849	1	1
Entamoeba histolytica	cysteine protease, putative	0.0438	0.4054	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0438	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0438	0.4054	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0849	1	1
Leishmania major	cathepsin L-like protease	0.0849	1	1
Giardia lamblia	Cathepsin B precursor	0.0157	0	0.5
Loa Loa (eye worm)	fibroinase	0.0849	1	1
Brugia malayi	Cathepsin L-like precursor	0.0569	0.5946	0.5946
Giardia lamblia	Cathepsin L precursor	0.0157	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0849	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0569	0.5946	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0849	1	1
Onchocerca volvulus		0.0569	0.5946	0.5946
Entamoeba histolytica	cysteine protease, putative	0.0438	0.4054	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0281	0.1791	0.1791
Leishmania major	cysteine peptidase A (CPA)	0.0849	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0849	1	1
Brugia malayi	Cathepsin L-like precursor	0.0849	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0438	0.4054	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0438	0.4054	0.4054
Onchocerca volvulus	Cathepsin F homolog	0.0849	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0849	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0569	0.5946	0.5946
Giardia lamblia	Encystation-specific protease	0.0157	0	0.5
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0438	0.4054	0.4054
Onchocerca volvulus	Cathepsin L homolog	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0849	1	1
Giardia lamblia	Cathepsin B precursor	0.0157	0	0.5
Echinococcus multilocularis	cathepsin L	0.0438	0.4054	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0438	0.4054	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0438	0.4054	0.4054
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0849	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0438	0.4054	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0849	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0849	1	1
Plasmodium vivax	unspecified product	0.0281	0.1791	0.1791
Entamoeba histolytica	cysteine protease, putative	0.0438	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0849	1	1
Leishmania major	cathepsin L-like protease	0.0849	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0569	0.5946	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0849	1	1
Loa Loa (eye worm)	cysteine protease	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0849	1	1
Onchocerca volvulus		0.0849	1	1
Entamoeba histolytica	cysteine protease, putative	0.0438	0.4054	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0849	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0438	0.4054	0.4054
Giardia lamblia	Cysteine protease	0.0157	0	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0849	1	1
Echinococcus multilocularis	cysteine protease	0.0849	1	1
Onchocerca volvulus		0.0849	1	1
Giardia lamblia	Cathepsin B precursor	0.0157	0	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0438	0.4054	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0849	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0438	0.4054	0.4054
Loa Loa (eye worm)	ctsf protein	0.0849	1	1
Giardia lamblia	Cathepsin L precursor	0.0157	0	0.5
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0849	1	1
Giardia lamblia	Cysteine protease	0.0157	0	0.5
Echinococcus granulosus	cysteine protease	0.0438	0.4054	0.4054
Plasmodium vivax	vivapain-2	0.0849	1	1
Loa Loa (eye worm)	hypothetical protein	0.0569	0.5946	0.5946
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0849	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0849	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0849	1	1
Entamoeba histolytica	cysteine protease, putative	0.0438	0.4054	0.4054
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.1748	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0569	0.5946	0.5946
Leishmania major	cathepsin L-like protease	0.0849	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0438	0.4054	0.4054
Onchocerca volvulus		0.0849	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0849	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0438	0.4054	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0438	0.4054	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0849	1	1
Brugia malayi	Cathepsin L-like precursor	0.0281	0.1791	0.1791
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0438	0.4054	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0849	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0849	1	1
Echinococcus granulosus	cathepsin l1	0.0849	1	1
Giardia lamblia	Cathepsin B precursor	0.0157	0	0.5
Giardia lamblia	Cathepsin L-like protease	0.0157	0	0.5
Giardia lamblia	Cathepsin B precursor	0.0157	0	0.5
Schistosoma mansoni	cathepsin s	0.0281	0.1791	0.1791
Brugia malayi	cathepsin L-like precursor	0.0569	0.5946	0.5946
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0849	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0438	0.4054	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0849	1	1
Giardia lamblia	Cathepsin B precursor	0.0157	0	0.5
Onchocerca volvulus		0.0849	1	1
Leishmania major	cathepsin L-like protease	0.0849	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0157	0	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0281	0.1791	0.1791
Plasmodium vivax	vivapain-3	0.0438	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0849	1	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0438	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0849	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0849	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0849	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0438	0.4054	0.4054
Giardia lamblia	Cathepsin L precursor	0.0157	0	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0849	1	1
Giardia lamblia	Hypothetical protein	0.0157	0	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0438	0.4054	0.4054
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0849	1	1
Entamoeba histolytica	cysteine protease, putative	0.0438	0.4054	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0849	1	1
Entamoeba histolytica	cysteine protease, putative	0.0438	0.4054	0.4054
Entamoeba histolytica	cysteine proteinase 1, putative	0.0438	0.4054	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0849	1	1
Giardia lamblia	Cathepsin B precursor	0.0157	0	0.5
Brugia malayi	Cathepsin L-like precursor	0.0849	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0849	1	1
Onchocerca volvulus		0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0438	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0849	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0569	0.5946	0.5946
Entamoeba histolytica	cysteine proteinase, putative	0.0438	0.4054	0.4054
Plasmodium vivax	unspecified product	0.0438	0.4054	0.4054
Plasmodium vivax	vivapain-2	0.0849	1	1
Giardia lamblia	Hypothetical protein	0.0157	0	0.5
Brugia malayi	Cathepsin L-like precursor	0.0569	0.5946	0.5946
Trypanosoma cruzi	cysteine protease, putative	0.0438	0.4054	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0569	0.5946	0.5946
Giardia lamblia	Cathepsin L precursor	0.0157	0	0.5
Giardia lamblia	Cysteine protease	0.0157	0	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0849	1	1
Plasmodium vivax	vivapain-1	0.0438	0.4054	0.4054
Entamoeba histolytica	cysteine proteinase 2	0.0438	0.4054	0.4054
Echinococcus granulosus	cathepsin l1	0.0569	0.5946	0.5946
Toxoplasma gondii	cathepsin CPL	0.0849	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0438	0.4054	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0849	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0157	0	0.5
Leishmania major	cathepsin L-like protease	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0849	1	1
Loa Loa (eye worm)	hypothetical protein	0.0569	0.5946	0.5946
Brugia malayi	Cathepsin L-like precursor	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0849	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0849	1	1
Loa Loa (eye worm)	hypothetical protein	0.0281	0.1791	0.1791
Echinococcus multilocularis	cysteine protease	0.0849	1	1
Giardia lamblia	Cathepsin L precursor	0.0157	0	0.5
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0438	0.4054	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0849	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0281	0.1791	0.1791
Onchocerca volvulus		0.0849	1	1
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.0157	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.8913 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1596103

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1445487