TDR Targets

Basic information

Technical information

TDR Targets ID: 948510
Name: 3,4-dimethoxy-N,N-dimethylbenzamide
MW: 209.242 | Formula: C11H15NO3
H donors: 0 H acceptors: 1 LogP: 1.32 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)C(=O)N(C)C
InChi: 1S/C11H15NO3/c1-12(2)11(13)8-5-6-9(14-3)10(7-8)15-4/h5-7H,1-4H3
InChiKey: WSSLDBVWUSSAGE-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

3,4-dimethoxy-N,N-dimethyl-benzamide
6967-45-9
NSC68327

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)	ligand-Gated ion Channel family member	0.0027	0.7772	0.7772
Entamoeba histolytica	aldose reductase, putative	0.0031	1	1
Entamoeba histolytica	aldose reductase, putative	0.0031	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Loa Loa (eye worm)	oxidoreductase	0.0031	1	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0027	0.7772	0.7772
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Onchocerca volvulus		0.0027	0.7772	0.7772
Echinococcus granulosus	aldo keto reductase	0.0031	1	1
Echinococcus multilocularis	nAChR subunit	0.0027	0.7772	0.7772
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0027	0.7772	0.7772
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	1	0.5
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0027	0.7772	0.7772
Toxoplasma gondii	aldose reductase, putative	0.0031	1	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	0.5
Echinococcus multilocularis	aldo keto reductase	0.0031	1	1
Echinococcus granulosus	aldo keto reductase	0.0031	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	0.5
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0027	0.7772	0.7772
Loa Loa (eye worm)	oxidoreductase	0.0031	1	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0027	0.7772	0.7772
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0027	0.7772	0.7772
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0027	0.7772	0.7772
Loa Loa (eye worm)	oxidoreductase	0.0031	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0027	0.7772	0.7772
Schistosoma mansoni	aldo-keto reductase	0.0031	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0027	0.7772	0.7772
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	0.5
Brugia malayi	Cation transporter family protein	0.0027	0.7772	0.7772
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0027	0.7772	0.7772
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0031	1	0.5
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0027	0.7772	0.7772
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0027	0.7772	0.7772
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0027	0.7772	0.7772
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0027	0.7772	0.7772
Leishmania major	prostaglandin f synthase, putative	0.0031	1	0.5
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0027	0.7772	0.7772
Echinococcus granulosus	glycine receptor subunit beta	0.0027	0.7772	0.7772
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0027	0.7772	0.7772
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0027	0.7772	0.7772
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0027	0.7772	0.7772
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0027	0.7772	0.7772
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0027	0.7772	0.7772
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	1	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0027	0.7772	0.7772
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0027	0.7772	0.7772
Onchocerca volvulus		0.0031	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0027	0.7772	0.7772
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0027	0.7772	0.7772
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0027	0.7772	0.7772
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Onchocerca volvulus		0.0031	1	1
Schistosoma mansoni	pol-related	0.0031	1	1
Echinococcus multilocularis	aldo keto reductase	0.0031	1	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0027	0.7772	0.7772
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0027	0.7772	0.7772
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Onchocerca volvulus		0.0031	1	1
Schistosoma mansoni	aldo-keto reductase	0.0031	1	1
Brugia malayi	Cation transporter family protein	0.0027	0.7772	0.7772
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	1	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	1	0.5
Onchocerca volvulus		0.0027	0.7772	0.7772
Loa Loa (eye worm)	ACC-1 protein	0.0027	0.7772	0.7772
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0027	0.7772	0.7772
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	1	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0027	0.7772	0.7772
Onchocerca volvulus		0.0027	0.7772	0.7772
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0027	0.7772	0.7772
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Onchocerca volvulus		0.0031	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	0.5
Trypanosoma brucei	prostaglandin f synthase	0.0031	1	0.5
Echinococcus granulosus	hypothetical protein	0.0031	1	1
Trypanosoma cruzi	aldo-keto reductase	0.0031	1	0.5
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0027	0.7772	0.7772
Schistosoma mansoni	nAChR subunit	0.0027	0.7772	0.7772
Onchocerca volvulus		0.0031	1	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0027	0.7772	0.7772
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0027	0.7772	0.7772
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0027	0.7772	0.7772
Schistosoma mansoni	nAChR subunit	0.0027	0.7772	0.7772
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	0.5
Onchocerca volvulus		0.0031	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	0.5
Loa Loa (eye worm)	LGC-31 protein	0.0027	0.7772	0.7772
Echinococcus granulosus	aldehyde reductase	0.0022	0.4474	0.4474
Echinococcus multilocularis	aldehyde reductase	0.0022	0.4474	0.4474
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0027	0.7772	0.7772
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0027	0.7772	0.7772
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0027	0.7772	0.7772
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Echinococcus multilocularis	aldo keto reductase	0.0031	1	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0027	0.7772	0.7772
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Entamoeba histolytica	aldose reductase, putative	0.0031	1	1
Echinococcus granulosus	aldo keto reductase	0.0031	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Giardia lamblia	Aldose reductase	0.0031	1	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Leishmania major	aldo-keto reductase-like protein	0.0031	1	0.5
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	1	0.5
Schistosoma mansoni	nAChR subunit	0.0027	0.7772	0.7772
Loa Loa (eye worm)	oxidoreductase	0.0031	1	1
Mycobacterium ulcerans	oxidoreductase	0.0031	1	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	0.5
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0027	0.7772	0.7772
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0031	1	0.5
Echinococcus granulosus	nAChR subunit	0.0027	0.7772	0.7772
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0027	0.7772	0.7772
Onchocerca volvulus		0.0027	0.7772	0.7772
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0027	0.7772	0.7772
Echinococcus multilocularis	aldo keto reductase	0.0031	1	1
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0027	0.7772	0.7772
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Mycobacterium tuberculosis	Probable oxidoreductase	0.0031	1	0.5
Echinococcus multilocularis	glycine receptor subunit beta	0.0027	0.7772	0.7772
Onchocerca volvulus		0.0027	0.7772	0.7772
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Schistosoma mansoni	nAChR subunit	0.0027	0.7772	0.7772
Echinococcus multilocularis	glycine receptor subunit beta	0.0027	0.7772	0.7772
Loa Loa (eye worm)	oxidoreductase	0.0031	1	1
Onchocerca volvulus	Putative nachr subunit	0.0027	0.7772	0.7772
Brugia malayi	excitatory GABA receptor EXP-1A	0.0027	0.7772	0.7772
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0027	0.7772	0.7772
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0027	0.7772	0.7772
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0027	0.7772	0.7772
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	1	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0031	1	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0027	0.7772	0.7772
Giardia lamblia	Aldose reductase	0.0031	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.7772	0.7772
Brugia malayi	Cation transporter family protein	0.0027	0.7772	0.7772
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	1	1
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0027	0.7772	0.7772
Onchocerca volvulus		0.0027	0.7772	0.7772
Loa Loa (eye worm)	ACC-1 protein	0.0027	0.7772	0.7772
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0027	0.7772	0.7772
Echinococcus granulosus	glycine receptor subunit beta	0.0027	0.7772	0.7772
Schistosoma mansoni	nAChR subunit	0.0027	0.7772	0.7772
Schistosoma mansoni	nAChR subunit	0.0027	0.7772	0.7772
Schistosoma mansoni	nAChR subunit	0.0027	0.7772	0.7772
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	1	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0031	1	0.5
Trypanosoma brucei	aldo-keto reductase, putative	0.0031	1	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 10 ug ml-1	Antifungal activity against Candida albicans MTCC 227 by serial dilution method	ChEMBL.	18597896
MIC (functional)	= 15 ug ml-1	Antibacterial activity against Escherichia coli MTCC 739 by serial dilution method	ChEMBL.	18597896

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: CHEMBL442652

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 948510