TDR Targets

Basic information

Technical information

TDR Targets ID: 985357
Name: 6-methoxy-1,2-benzoxazol-3-one
MW: 165.146 | Formula: C8H7NO3
H donors: 1 H acceptors: 2 LogP: 1.66 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)onc2O
InChi: 1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-9-8(6)10/h2-4H,1H3,(H,9,10)
InChiKey: WVBAYYGFAJXJEX-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-methoxyindoxazen-3-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Sus scrofa	D-amino-acid oxidase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	D-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	Get druggable targets OG5_127583	All targets in OG5_127583
Candida albicans	putative d-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127583	All targets in OG5_127583
Schistosoma mansoni	d-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583
Candida albicans	putative d-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	Get druggable targets OG5_127583	All targets in OG5_127583
Schistosoma japonicum	ko:K00272 D-aspartate oxidase [EC1.4.3.1], putative	Get druggable targets OG5_127583	All targets in OG5_127583
Mycobacterium ulcerans	D-amino acid oxidase Aao	Get druggable targets OG5_127583	All targets in OG5_127583
Candida albicans	D-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Candida albicans	similar to putative d-amino acid oxidase	D-amino-acid oxidase	347 aa	390 aa	23.3 %
Onchocerca volvulus	Unconventional prefoldin RPB5 interactor 1 homolog	D-amino-acid oxidase	347 aa	351 aa	30.8 %
Mycobacterium ulcerans	D-amino acid oxidase Aao	D-amino-acid oxidase	347 aa	376 aa	25.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	beta-lactamase	0.0038	0.0804	0.246
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.3269	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.3269	0.4165
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0804	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1266	0.1613
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0804	0.1024
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0179	0.712	0.6868
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.3269	0.4165
Trichomonas vaginalis	esterase, putative	0.0038	0.0804	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0804	0.1055
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0804	0.1024
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.3269	0.4165
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.0295	0.0376
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0804	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0804	0.1024
Onchocerca volvulus		0.0038	0.0804	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1266	0.1613
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1266	0.3874
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0195	0.7849	1
Schistosoma mansoni	hypothetical protein	0.019	0.762	0.9708
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0804	0.1024
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0804	0.1024
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0804	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.3269	0.429
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.3269	0.429
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.3269	0.429
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1266	0.3874
Onchocerca volvulus		0.0038	0.0804	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0804	0.5
Brugia malayi	beta-lactamase family protein	0.0038	0.0804	0.246
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0195	0.7849	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0804	0.1024
Toxoplasma gondii	ABC1 family protein	0.0038	0.0804	0.5
Leishmania major	hypothetical protein, conserved	0.0038	0.0804	0.5
Schistosoma mansoni	lipoxygenase	0.012	0.4496	0.5728
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0804	0.1024
Schistosoma mansoni	hypothetical protein	0.0033	0.058	0.0739
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0804	0.1055
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0804	0.1024
Schistosoma mansoni	lipoxygenase	0.0084	0.2872	0.3658
Loa Loa (eye worm)	hypothetical protein	0.0195	0.7849	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.3269	0.429
Onchocerca volvulus		0.0038	0.0804	1
Brugia malayi	Cytochrome P450 family protein	0.0027	0.0295	0.0902
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.012	0.4496	0.59
Schistosoma mansoni	d-amino acid oxidase	0.0195	0.7849	1
Brugia malayi	beta-lactamase family protein	0.0038	0.0804	0.246
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0804	0.1024
Echinococcus granulosus	geminin	0.019	0.762	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0804	0.246
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.3269	0.4165
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0804	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0804	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0804	0.5
Schistosoma mansoni	hypothetical protein	0.019	0.762	0.9708
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0804	0.1024
Loa Loa (eye worm)	hypothetical protein	0.0033	0.058	0.0739
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0804	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0804	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.058	0.1775
Plasmodium falciparum	LCCL domain-containing protein	0.002	0	0.5
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.012	0.4496	0.59
Echinococcus multilocularis	geminin	0.019	0.762	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.57 uM	Inhibition of pig D-amino acid oxidase	ChEMBL.	18507366

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: CHEMBL483504

Bibliographic References

No literature references available for this target.

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Detailed information for compound 985357