TDR Targets

Basic information

Technical information

TDR Targets ID: 800703
Name: [4-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl ] acetate
MW: 315.708 | Formula: C16H10ClNO4
H donors: 0 H acceptors: 2 LogP: 3.31 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Oc1ccc(cc1)c1nc2cc(Cl)ccc2c(=O)o1
InChi: 1S/C16H10ClNO4/c1-9(19)21-12-5-2-10(3-6-12)15-18-14-8-11(17)4-7-13(14)16(20)22-15/h2-8H,1H3
InChiKey: IOPJMTMJVLBVBW-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

acetic acid [4-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl] ester
acetic acid [4-(7-chloro-4-keto-3,1-benzoxazin-2-yl)phenyl] ester
[4-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl] ethanoate
MLS001209594
SMR000515146
A1568/0068350
Acetic acid 4-(7-chloro-4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-phenyl ester
BAS 00721040
Oprea1_284839
ZINC00049301
Oprea1_687374

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.2084	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0016	0.0117	0.0275
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.2038	0.1944
Echinococcus granulosus	zinc finger protein	0.0019	0.0231	0.0115
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2916	1
Trypanosoma brucei	myosin heavy chain kinase A, putative	0.0031	0.0796	0.7773
Leishmania major	myosin heavy chain kinase a-like protein	0.0031	0.0796	0.3703
Brugia malayi	Inositol-1	0.0036	0.1013	0.1013
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.1013	0.5
Trypanosoma cruzi	myosin heavy chain kinase A, putative	0.0031	0.0796	0.7773
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2916	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.1013	0.5
Schistosoma mansoni	eukaryotic elongation factor 2 kinase (eef-2 kinase)	0.0031	0.0796	0.2633
Trypanosoma brucei	myosin heavy chain kinase A, putative	0.0031	0.0796	0.7773
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1078	0.1078
Brugia malayi	RNA binding protein	0.0076	0.2916	0.2916
Schistosoma mansoni	inositol monophosphatase	0.0036	0.1013	0.3387
Schistosoma mansoni	lamin	0.0026	0.0564	0.1827
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.2916	0.2832
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6077	0.6077
Schistosoma mansoni	lamin	0.0026	0.0564	0.1827
Echinococcus granulosus	lamin	0.0026	0.0564	0.0452
Echinococcus granulosus	muscleblind protein	0.0144	0.6077	0.6031
Echinococcus multilocularis	lamin dm0	0.0026	0.0564	0.0452
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.2038	0.1944
Echinococcus granulosus	eukaryotic elongation factor 2 kinase	0.0031	0.0796	0.0687
Brugia malayi	MHCK/EF2 kinase domain family protein	0.0031	0.0796	0.0796
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.2084	1
Brugia malayi	Bromodomain containing protein	0.0072	0.2727	0.2727
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0564	0.0564
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.1013	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.2084	0.711
Schistosoma mansoni	inositol monophosphatase	0.0036	0.1013	0.3387
Brugia malayi	intermediate filament protein	0.0026	0.0564	0.0564
Echinococcus multilocularis	zinc finger protein	0.0019	0.0231	0.0115
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.2084	1
Brugia malayi	TAR-binding protein	0.0076	0.2916	0.2916
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1013	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0564	0.0564
Onchocerca volvulus		0.0047	0.1522	1
Brugia malayi	Muscleblind-like protein	0.0144	0.6077	0.6077
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0365	0.025
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.2084	1
Echinococcus multilocularis	lamin	0.0026	0.0564	0.0452
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0796	0.0796
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0016	0.0117	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2535	0.2535
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2916	1
Echinococcus multilocularis	musashi	0.0026	0.0564	0.0452
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.1013	0.5
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.1013	0.5
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1013	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0016	0.0117	0.0275
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0032	0.0839	0.5
Echinococcus multilocularis	muscleblind protein	0.0144	0.6077	0.6031
Echinococcus granulosus	tar DNA binding protein	0.0076	0.2916	0.2832
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0365	0.025
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0564	0.0564
Schistosoma mansoni	survival motor neuron protein	0.0047	0.1522	0.5155
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1184	0.1184
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0968	0.086
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0542	0.0542
Loa Loa (eye worm)	inositol-1	0.0036	0.1013	0.1013
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.1522	0.1522
Brugia malayi	Bromodomain containing protein	0.0037	0.1074	0.1074
Schistosoma mansoni	hypothetical protein	0.002	0.0279	0.0835
Loa Loa (eye worm)	RNA binding protein	0.0076	0.2916	0.2916
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6077	0.6077
Schistosoma mansoni	zinc finger protein	0.0019	0.0231	0.067
Echinococcus multilocularis	survival motor neuron protein 1	0.0228	1	1
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0279	0.0279
Echinococcus granulosus	lamin dm0	0.0026	0.0564	0.0452
Loa Loa (eye worm)	hypothetical protein	0.0228	1	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1013	0.4764
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.2084	0.199
Echinococcus granulosus	survival motor neuron protein 1	0.0228	1	1
Trypanosoma cruzi	myosin heavy chain kinase A, putative	0.0031	0.0796	0.7773
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0968	0.086
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0365	0.1134
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.2084	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.1013	0.0906
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.2916	0.2916
Brugia malayi	PHD-finger family protein	0.0024	0.0471	0.0471
Schistosoma mansoni	hypothetical protein	0.0047	0.1522	0.5155
Echinococcus multilocularis	muscleblind protein 1	0.0144	0.6077	0.6031
Echinococcus granulosus	intermediate filament protein	0.0026	0.0564	0.0452
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0117	0.0117
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.2084	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2916	1
Echinococcus multilocularis	eukaryotic elongation factor 2 kinase	0.0031	0.0796	0.0687
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0145	0.0145
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.1013	0.0906
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2916	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0016	0.0117	0.0275
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0564	0.1827
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1013	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0564	0.0564
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.2916	0.2916
Loa Loa (eye worm)	hypothetical protein	0.0041	0.127	0.127
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.2916	0.2916
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.2084	0.711
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.2084	0.199
Schistosoma mansoni	bromodomain containing protein	0.0061	0.2199	0.7511

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

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: CHEMBL1732028
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 800703