TDR Targets

Basic information

Technical information

TDR Targets ID: 1399783
Name: N-(3-methoxyphenyl)-2-[3-(tetrazol-1-yl)pheno xy]acetamide
MW: 325.322 | Formula: C16H15N5O3
H donors: 1 H acceptors: 4 LogP: 2.07 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)NC(=O)COc1cccc(c1)n1cnnn1
InChi: 1S/C16H15N5O3/c1-23-14-6-2-4-12(8-14)18-16(22)10-24-15-7-3-5-13(9-15)21-11-17-19-20-21/h2-9,11H,10H2,1H3,(H,18,22)
InChiKey: MFGZUDNMCGYROI-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-(3-methoxyphenyl)-2-[3-(1-tetrazolyl)phenoxy]acetamide
N-(3-methoxyphenyl)-2-[3-(1,2,3,4-tetrazol-1-yl)phenoxy]ethanamide
SMR000286549
ZINC00882973
ASN 03108471
N-(3-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
MLS000709682

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
Leishmania major	DNA polymerase kappa, putative	0.0022	0.0045	0.0084
Trypanosoma cruzi	DNA polymerase eta, putative	0.0036	0.2562	0.4819
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0045	0.0084
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0045	0.0084
Echinococcus granulosus	dna polymerase eta	0.0051	0.5316	0.5316
Loa Loa (eye worm)	hypothetical protein	0.0051	0.5316	0.5703
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0022	0.0045	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.9322	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0045	0.0084
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0045	0.0084
Trypanosoma brucei	DNA polymerase eta, putative	0.0051	0.5316	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0045	0.0048
Onchocerca volvulus		0.0051	0.5373	0.5
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0073	0.9322	0.9322
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0045	0.0084
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0045	0.0084
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0045	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0045	0.0084
Brugia malayi	ImpB/MucB/SamB family protein	0.0051	0.5316	0.5703
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0045	0.0045
Echinococcus multilocularis	dna polymerase eta	0.0051	0.5316	0.5316
Loa Loa (eye worm)	calpain family protein 1	0.0073	0.9322	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0045	0.0084
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0045	0.0045
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0045	0.0084
Leishmania major	DNA polymerase eta, putative	0.0036	0.2562	0.4819
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.0045	0.5
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0045	0.0045
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0045	0.0084
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.0045	0.0084
Loa Loa (eye worm)	calpain family protein 1	0.0051	0.5373	0.5764
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0022	0.0045	0.5
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0051	0.5373	0.5764
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0045	0.0045
Echinococcus multilocularis	calpain family protein 1, d	0.0051	0.5373	0.5373
Trypanosoma brucei	unspecified product	0.0022	0.0045	0.0084
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.0045	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0045	0.0084
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0045	0.0084
Giardia lamblia	DINP protein human, muc B family	0.0022	0.0045	0.5
Trypanosoma cruzi	DNA polymerase eta, putative	0.0051	0.5316	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0036	0.2562	0.5
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0045	0.0048
Schistosoma mansoni	DNA polymerase eta	0.0051	0.5316	0.5316
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0045	0.0084
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0022	0.0045	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0045	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0073	0.9322	1
Leishmania major	DNA polymerase eta, putative	0.0051	0.5316	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0045	0.0084
Brugia malayi	calpain family protein 1	0.0073	0.9322	1
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0045	0.0045
Brugia malayi	calpain family protein 1	0.0073	0.9322	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.5373	0.5764
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0045	0.0084
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0045	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0045	0.0084

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.9362 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 (functional)	21.3313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	35.4813 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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: CHEMBL1519779

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 1399783