TDR Targets

Basic information

Technical information

TDR Targets ID: 1466329
Name: 6-methyl-1-oxido-2,1,3-benzoxadiazol-1-ium
MW: 150.135 | Formula: C7H6N2O2
H donors: 0 H acceptors: 2 LogP: 1.78 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: [O-][n+]1onc2c1cc(C)cc2
InChi: 1S/C7H6N2O2/c1-5-2-3-6-7(4-5)9(10)11-8-6/h2-4H,1H3
InChiKey: HHWHSCQAHBHQRP-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

6-methyl-1-oxido-benzofurazan-1-ium
3524-05-8
STOCK2S-26461
ZINC00162470
NSC172604

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
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0265	0.0265
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0265	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0265	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0265	0.0265
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0265	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.2073	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0265	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0265	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.2073	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0265	0.0265
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2073	0.5
Schistosoma mansoni	tyrosinase precursor	0.0276	1	1
Onchocerca volvulus		0.0017	0.0265	0.0265
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0265	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0265	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2073	0.5
Onchocerca volvulus		0.0276	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2073	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0265	0.0265
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0265	1
Onchocerca volvulus		0.0017	0.0265	0.0265
Echinococcus granulosus	cathepsin l1	0.0017	0.0265	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0265	1
Echinococcus granulosus	cathepsin l1	0.0011	0.0052	0.1962
Leishmania major	cathepsin L-like protease	0.0065	0.2073	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0017	0.0265	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0265	0.0265
Echinococcus multilocularis	cysteine protease	0.0017	0.0265	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0276	1	1
Schistosoma mansoni	tyrosinase precursor	0.0276	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0265	0.0265
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0276	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2073	0.5
Onchocerca volvulus		0.0276	1	1
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0052	0.0052
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0052	0.0052
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0265	0.0265
Onchocerca volvulus		0.0276	1	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.0276	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0265	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0265	1
Onchocerca volvulus		0.0017	0.0265	0.0265
Onchocerca volvulus		0.0017	0.0265	0.0265
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0265	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0276	1	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0051	0.1548	0.7098
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0265	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0265	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0265	1
Plasmodium vivax	vivapain-2	0.0017	0.0265	0.5
Onchocerca volvulus		0.0011	0.0052	0.0052
Onchocerca volvulus		0.0276	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.006	0.186	0.8824
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2073	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0265	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2073	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0017	0.0265	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0265	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0265	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0265	0.0265
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2073	0.5
Brugia malayi	cathepsin L-like precursor	0.0011	0.0052	0.0052
Plasmodium vivax	vivapain-2	0.0017	0.0265	0.5
Onchocerca volvulus		0.0017	0.0265	0.0265
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0265	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0265	0.0265
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0265	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0265	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0276	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2073	0.5
Leishmania major	cathepsin L-like protease	0.0065	0.2073	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0052	0.0052
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0017	0.0265	0.5
Toxoplasma gondii	cathepsin CPL	0.0017	0.0265	0.5
Leishmania major	cathepsin L-like protease	0.0065	0.2073	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0265	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0276	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0265	1
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0265	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0265	0.0265
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0265	0.0265
Brugia malayi	Common central domain of tyrosinase family protein	0.0276	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0011	0.0052	0.0052
Onchocerca volvulus		0.0017	0.0265	0.0265
Loa Loa (eye worm)	cysteine protease	0.0017	0.0265	0.0265
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0265	1
Echinococcus multilocularis	cysteine protease	0.0017	0.0265	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0265	1
Loa Loa (eye worm)	ctsf protein	0.0017	0.0265	0.0265
Loa Loa (eye worm)	tyrosinase 1	0.0276	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0265	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0065	0.2073	1
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.0265	0.0265
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2073	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0265	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.0276	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0011	0.0052	0.0052
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0265	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0052	0.0052
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0265	0.0265
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2073	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.2073	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0265	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.2073	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0265	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0265	0.0265
Loa Loa (eye worm)	fibroinase	0.0017	0.0265	0.0265
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0265	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0052	0.0052
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0276	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0265	1
Onchocerca volvulus		0.0017	0.0265	0.0265

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antiparasitic activity against Trypanosoma cruzi T2 epimastigotes assessed as growth inhibition at 25 uM after 5 days	ChEMBL.	20889239
Inhibition (binding)	= 8 %	Inhibition of Trypanosoma cruzi triosephosphate isomerase at 400 uM after 2 hrs	ChEMBL.	20889239

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: CHEMBL1632286

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1466329