TDR Targets

Basic information

Technical information

TDR Targets ID: 986454
Name: 5-iodo-1,2-benzoxazol-3-one
MW: 261.017 | Formula: C7H4INO2
H donors: 1 H acceptors: 2 LogP: 2.33 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Ic1ccc2c(c1)c(O)no2
InChi: 1S/C7H4INO2/c8-4-1-2-6-5(3-4)7(10)9-11-6/h1-3H,(H,9,10)
InChiKey: ZHISBMZOUCQZNQ-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

5-iodoindoxazen-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	putative d-amino acid oxidase	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
Loa Loa (eye worm)	hypothetical protein	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
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
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	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
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
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 20	0.0016	0.0437	0.5
Schistosoma mansoni	ferritin	0.0008	0.0018	0.0018
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1998	1
Trypanosoma brucei	electron transfer flavoprotein-ubiquinone oxidoreductase, putative	0.0016	0.0437	0.5
Toxoplasma gondii	FAD-dependent glycerol-3-phosphate dehydrogenase	0.0016	0.0437	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1998	0.1998
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1998	1
Leishmania major	hypothetical protein, conserved	0.0016	0.0437	0.5
Entamoeba histolytica	anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative	0.0016	0.0437	0.5
Schistosoma mansoni	fad oxidoreductase	0.0016	0.0437	0.0437
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.0016	0.0437	0.046
Schistosoma mansoni	ferritin	0.0008	0.0018	0.0018
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0195	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1998	1
Schistosoma mansoni	apoferritin-2	0.0008	0.0018	0.0018
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.0016	0.0437	0.042
Toxoplasma gondii	hypothetical protein	0.0016	0.0437	0.5
Schistosoma mansoni	ferritin	0.0008	0.0018	0.0018
Schistosoma mansoni	ferritin light chain	0.0008	0.0018	0.0018
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.0016	0.0437	0.042
Brugia malayi	RE18450p	0.0016	0.0437	0.074
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0008	0.0018	0.5
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0016	0.0437	0.074
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1998	0.1998
Schistosoma mansoni	ferritin	0.0008	0.0018	0.0018
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0016	0.0437	0.5
Schistosoma mansoni	fad oxidoreductase	0.0016	0.0437	0.0437
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0016	0.0437	0.5
Treponema pallidum	bacterioferrin (TpF1)	0.0008	0.0018	0.5
Echinococcus granulosus	ferritin	0.0008	0.0018	0.0091
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0195	1	1
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.0016	0.0437	0.219
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1998	0.1998
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.0016	0.0437	0.0437
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.0016	0.0437	0.042
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0179	0.913	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0437	0.0437
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial	0.0016	0.0437	0.5
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.0016	0.0437	0.0437
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.0016	0.0437	0.219
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase, putative	0.0016	0.0437	0.5
Leishmania major	hypothetical protein, conserved	0.0016	0.0437	0.5
Leishmania major	glycerol-3-phosphate dehydrogenase-like protein	0.0016	0.0437	0.5
Plasmodium vivax	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0016	0.0437	0.5
Schistosoma mansoni	ferritin light chain	0.0008	0.0018	0.0018
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1998	1
Trypanosoma cruzi	FAD dependent oxidoreductase, putative	0.0016	0.0437	0.5
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0016	0.0437	0.074
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1998	0.1998
Brugia malayi	MH2 domain containing protein	0.0118	0.591	1
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0016	0.0437	0.5
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0016	0.0437	0.5
Onchocerca volvulus	Dimethylglycine dehydrogenase, mitochondrial homolog	0.0016	0.0437	0.5
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0016	0.0437	0.5
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.0016	0.0437	0.219
Schistosoma mansoni	NAD dehydrogenase	0.0016	0.0437	0.0437
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0016	0.0437	0.0437
Onchocerca volvulus	Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog	0.0016	0.0437	0.5
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0016	0.0437	0.5
Schistosoma mansoni	apoferritin-2	0.0008	0.0018	0.0018
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.0016	0.0437	0.219
Mycobacterium leprae	Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase)	0.0016	0.0437	0.042
Onchocerca volvulus	Putative fad oxidoreductase	0.0016	0.0437	0.5
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0016	0.0437	0.5
Echinococcus multilocularis	ferritin	0.0008	0.0018	0.0091
Trichomonas vaginalis	ferritin, putative	0.0008	0.0018	0.5
Plasmodium falciparum	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0016	0.0437	0.5
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0016	0.0437	0.5
Echinococcus multilocularis	expressed protein	0.0008	0.0018	0.0091
Mycobacterium leprae	Possible thiamine biosynthesis oxidoreductase ThiO	0.0016	0.0437	0.042
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1998	0.338
Schistosoma mansoni	d-amino acid oxidase	0.0195	1	1
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0016	0.0437	0.042
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0437	0.0437
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.591	0.591
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0437	0.0437
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.591	0.591
Trypanosoma brucei	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0016	0.0437	0.5
Echinococcus granulosus	expressed protein	0.0008	0.0018	0.0091
Brugia malayi	cDNA sequence BC016226	0.0016	0.0437	0.074
Trypanosoma brucei	FAD dependent oxidoreductase, putative	0.0016	0.0437	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.51 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: CHEMBL482935

Bibliographic References

No literature references available for this target.

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Detailed information for compound 986454