TDR Targets

Basic information

Technical information

TDR Targets ID: 1405457
Name: 2-(6-methyl-2-nitropyridin-3-yl)oxy-N-[(4-met hylphenyl)methyl]acetamide
MW: 315.324 | Formula: C16H17N3O4
H donors: 1 H acceptors: 4 LogP: 2.59 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(COc1ccc(nc1[N+](=O)[O-])C)NCc1ccc(cc1)C
InChi: 1S/C16H17N3O4/c1-11-3-6-13(7-4-11)9-17-15(20)10-23-14-8-5-12(2)18-16(14)19(21)22/h3-8H,9-10H2,1-2H3,(H,17,20)
InChiKey: QYHQBBXUYGJDQX-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-[(6-methyl-2-nitro-3-pyridyl)oxy]-N-[(4-methylphenyl)methyl]acetamide
N-(4-methylbenzyl)-2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetamide
2-(6-methyl-2-nitro-pyridin-3-yl)oxy-N-[(4-methylphenyl)methyl]ethanamide
SMR000256149
T5262288
MLS000389875

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352

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
Onchocerca volvulus		0.0147	0.3838	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0147	0.3838	0.3838
Plasmodium vivax	vivapain-3	0.008	0.1292	0.3366
Echinococcus multilocularis	muscleblind protein 1	0.018	0.5102	0.4375
Brugia malayi	cathepsin L-like precursor	0.0101	0.2102	0.2102
Entamoeba histolytica	cysteine proteinase, putative	0.0101	0.2102	0.3182
Brugia malayi	Papain family cysteine protease containing protein	0.008	0.1292	0.1292
Brugia malayi	Cathepsin L-like precursor	0.0101	0.2102	0.2102
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0147	0.3838	1
Loa Loa (eye worm)	cathepsin B	0.0119	0.2786	0.2786
Echinococcus granulosus	cathepsin l1	0.0147	0.3838	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.3838	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.008	0.1292	0.1292
Onchocerca volvulus		0.0147	0.3838	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.2102	0.2102
Loa Loa (eye worm)	hypothetical protein	0.0101	0.2102	0.2102
Leishmania major	cathepsin L-like protease	0.0147	0.3838	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0147	0.3838	0.3838
Brugia malayi	Cathepsin L-like precursor	0.0147	0.3838	0.3838
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0546	0.0546
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0546	0.0546
Trypanosoma cruzi	cysteine peptidase, putative	0.008	0.1292	0.1292
Brugia malayi	Cathepsin L-like precursor	0.0101	0.2102	0.2102
Schistosoma mansoni	cathepsin F (C01 family)	0.0101	0.2102	0.2102
Echinococcus multilocularis	cysteine protease	0.0147	0.3838	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0101	0.2102	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.3838	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0119	0.2786	0.2786
Trypanosoma cruzi	cysteine peptidase, putative	0.0147	0.3838	0.3838
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0147	0.3838	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0147	0.3838	1
Echinococcus granulosus	muscleblind protein	0.018	0.5102	0.4375
Trypanosoma cruzi	cysteine proteinase, putative	0.008	0.1292	0.1292
Brugia malayi	Cathepsin L-like precursor	0.0147	0.3838	0.3838
Giardia lamblia	Cathepsin B precursor	0.0119	0.2786	0.5
Toxoplasma gondii	cathepsin CPL	0.0147	0.3838	1
Loa Loa (eye worm)	fibroinase	0.0147	0.3838	0.3838
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0147	0.3838	1
Onchocerca volvulus	Cathepsin L homolog	0.0147	0.3838	1
Plasmodium vivax	vivapain-1	0.008	0.1292	0.3366
Brugia malayi	Papain family cysteine protease containing protein	0.008	0.1292	0.1292
Trypanosoma cruzi	cysteine protease, putative	0.008	0.1292	0.1292
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0147	0.3838	1
Leishmania major	cathepsin L-like protease	0.0147	0.3838	1
Leishmania major	cathepsin L-like protease	0.0147	0.3838	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0147	0.3838	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0147	0.3838	0.2924
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.008	0.1292	0.1292
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0147	0.3838	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.2102	0.2102
Echinococcus multilocularis	muscleblind protein	0.018	0.5102	0.4375
Echinococcus multilocularis	cathepsin L cysteine protease	0.0147	0.3838	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.3838	1
Onchocerca volvulus		0.0147	0.3838	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0147	0.3838	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.008	0.1292	0.1292
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.3838	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0147	0.3838	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0147	0.3838	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0147	0.3838	1
Echinococcus granulosus	cathepsin l1	0.0101	0.2102	0.093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.3838	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0147	0.3838	0.3838
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0147	0.3838	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.5102	0.5102
Leishmania major	cathepsin L-like protease	0.0147	0.3838	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.3838	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.3838	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.3838	1
Giardia lamblia	Cathepsin B precursor	0.0119	0.2786	0.5
Leishmania major	cathepsin L-like protease	0.0147	0.3838	1
Entamoeba histolytica	cysteine proteinase, putative	0.0147	0.3838	1
Entamoeba histolytica	cysteine proteinase, putative	0.0147	0.3838	1
Loa Loa (eye worm)	ctsf protein	0.0147	0.3838	0.3838
Loa Loa (eye worm)	cysteine protease	0.0147	0.3838	0.3838
Plasmodium vivax	vivapain-2	0.0147	0.3838	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0119	0.2786	0.2786
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0147	0.3838	0.2924
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0147	0.3838	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0147	0.3838	0.3838
Onchocerca volvulus		0.0147	0.3838	1
Plasmodium vivax	unspecified product	0.008	0.1292	0.3366
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0147	0.3838	1
Brugia malayi	Cathepsin L-like precursor	0.0147	0.3838	0.3838
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0101	0.2102	0.2102
Leishmania major	cysteine peptidase A (CPA)	0.0147	0.3838	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0119	0.2786	0.5868
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0119	0.2786	0.5868
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.008	0.1292	0.1292
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.3838	1
Trypanosoma cruzi	cysteine proteinase, putative	0.008	0.1292	0.1292
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0147	0.3838	1
Brugia malayi	Cathepsin L-like precursor	0.0147	0.3838	0.3838
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0147	0.3838	1
Plasmodium vivax	vivapain-2	0.0147	0.3838	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0147	0.3838	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.5102	0.5102
Onchocerca volvulus	Cathepsin F homolog	0.0147	0.3838	1
Onchocerca volvulus	Cathepsin L homolog	0.0147	0.3838	1
Brugia malayi	Cathepsin L-like precursor	0.0147	0.3838	0.3838
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0147	0.3838	1
Onchocerca volvulus		0.0147	0.3838	1
Leishmania major	cathepsin L-like protease	0.0147	0.3838	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0147	0.3838	1
Leishmania major	cathepsin L-like protease	0.0147	0.3838	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0147	0.3838	1
Leishmania major	cathepsin L-like protease	0.0147	0.3838	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.3838	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0147	0.3838	1
Onchocerca volvulus		0.0147	0.3838	1
Onchocerca volvulus		0.0147	0.3838	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0147	0.3838	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0546	0.0546
Giardia lamblia	Cathepsin B precursor	0.0119	0.2786	0.5
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0147	0.3838	0.2924
Brugia malayi	Cathepsin L-like precursor	0.0147	0.3838	0.3838
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0101	0.2102	0.2102
Echinococcus multilocularis	cysteine protease	0.0147	0.3838	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0101	0.2102	0.3182
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0147	0.3838	0.3838
Entamoeba histolytica	cysteine protease, putative	0.0147	0.3838	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.3838	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0147	0.3838	0.3838
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0147	0.3838	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.3838	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0546	0.0546
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0147	0.3838	1
Brugia malayi	Papain family cysteine protease containing protein	0.0147	0.3838	0.3838
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0147	0.3838	0.2924
Trypanosoma cruzi	cruzipain precursor, putative	0.0147	0.3838	0.3838
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0147	0.3838	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.3838	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.3838	1
Brugia malayi	Muscleblind-like protein	0.018	0.5102	0.5102
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0147	0.3838	0.2924
Schistosoma mansoni	cathepsin F (C01 family)	0.0147	0.3838	0.3838
Loa Loa (eye worm)	hypothetical protein	0.0147	0.3838	0.3838

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.3225 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (binding)	17.7828 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

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: CHEMBL1544299

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 1405457