TDR Targets

Basic information

Technical information

TDR Targets ID: 323518
Name: 2-(2-chlorophenyl)benzo[h][3,1]benzoxazin-4-o ne
MW: 307.731 | Formula: C18H10ClNO2
H donors: 0 H acceptors: 1 LogP: 4.8 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1c1oc(=O)c2c(n1)c1ccccc1cc2
InChi: 1S/C18H10ClNO2/c19-15-8-4-3-7-13(15)17-20-16-12-6-2-1-5-11(12)9-10-14(16)18(21)22-17/h1-10H
InChiKey: YCRAYDWMMFMJNG-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

2-(2-chlorophenyl)-4-benzo[h][3,1]benzoxazinone
4H-Naphth[1,2-d][1,3]oxazin-4-one, 2-(2-chlorophenyl)-
AIDS-219672
AIDS219672

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
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0248	0.2934	0.1507
Brugia malayi	Animal haem peroxidase family protein	0.0767	1	1
Schistosoma mansoni	cell polarity protein	0.0248	0.2934	0.1507
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Echinococcus multilocularis	neurogenic locus protein delta	0.0248	0.2934	0.1574
Echinococcus multilocularis	neurogenic locus notch protein	0.0248	0.2934	0.1574
Schistosoma mansoni	hypothetical protein	0.0248	0.2934	0.1507
Schistosoma mansoni	hypothetical protein	0.0248	0.2934	0.1507
Schistosoma mansoni	hypothetical protein	0.0248	0.2934	0.1507
Schistosoma mansoni	notch	0.0248	0.2934	0.1507
Brugia malayi	EGF-like domain containing protein	0.0248	0.2934	0.1507
Onchocerca volvulus		0.0767	1	1
Onchocerca volvulus	Peroxidase homolog	0.0767	1	1
Schistosoma mansoni	hypothetical protein	0.0248	0.2934	0.1507
Brugia malayi	Peroxidasin	0.0767	1	1
Brugia malayi	EGF-like domain containing protein	0.0248	0.2934	0.1507
Echinococcus granulosus	fibropellin Ia	0.0248	0.2934	0.1507
Onchocerca volvulus		0.0767	1	1
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Schistosoma mansoni	slit	0.0248	0.2934	0.1507
Brugia malayi	EGF-like domain containing protein	0.0248	0.2934	0.1507
Echinococcus granulosus	neurogenic locus notch protein	0.0248	0.2934	0.1507
Schistosoma mansoni	notch	0.0248	0.2934	0.1507
Echinococcus granulosus	neurogenic locus notch protein 4	0.0248	0.2934	0.1507
Schistosoma mansoni	tyrosine kinase	0.0262	0.3124	0.1735
Brugia malayi	Cadherin domain containing protein	0.0248	0.2934	0.1507
Brugia malayi	GCC2 and GCC3 family protein	0.0259	0.3089	0.1693
Schistosoma mansoni	tyrosine kinase	0.0259	0.3086	0.169
Echinococcus granulosus	notch	0.0248	0.2934	0.1507
Echinococcus multilocularis	neurogenic locus notch protein	0.0248	0.2934	0.1574
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Loa Loa (eye worm)	Notch2	0.0248	0.2934	0.2934
Schistosoma mansoni	peroxidasin	0.0767	1	1
Echinococcus granulosus	peroxidasin	0.0767	1	1
Brugia malayi	Blistered cuticle protein 3	0.0767	1	1
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Brugia malayi	EGF-like domain containing protein	0.0248	0.2934	0.1507
Loa Loa (eye worm)	blistered cuticle protein 3	0.0767	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0767	1	1
Onchocerca volvulus	Peroxidasin homolog	0.0767	1	1
Schistosoma mansoni	notch	0.0248	0.2934	0.1507
Brugia malayi	Cadherin domain containing protein	0.0248	0.2934	0.1507
Schistosoma mansoni	notch	0.0248	0.2934	0.1507
Echinococcus granulosus	neurogenic locus protein delta	0.0248	0.2934	0.1507
Echinococcus granulosus	neural cadherin	0.0248	0.2934	0.1507
Echinococcus granulosus	delta-like protein 1	0.0248	0.2934	0.1507
Loa Loa (eye worm)	animal heme peroxidase	0.0767	1	1
Echinococcus multilocularis	protein jagged 1	0.0248	0.2934	0.1574
Echinococcus multilocularis	protein jagged 2	0.0248	0.2934	0.1574
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Echinococcus multilocularis	neurogenic locus protein delta	0.0248	0.2934	0.1574
Loa Loa (eye worm)	notch protein	0.0248	0.2934	0.2934
Brugia malayi	EGF-like domain containing protein	0.0248	0.2934	0.1507
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Onchocerca volvulus	Peroxidase homolog	0.0767	1	1
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0487	0.6192	0.5459
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Echinococcus multilocularis	peroxidasin	0.0767	1	1
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0767	1	1
Echinococcus granulosus	neurogenic locus notch protein	0.0248	0.2934	0.1507
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Onchocerca volvulus	Putative cubilin	0.0252	0.2998	0.0091
Schistosoma mansoni	septate junction protein	0.0248	0.2934	0.1507
Brugia malayi	Delta serrate ligand family protein	0.0248	0.2934	0.1507
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Echinococcus granulosus	epidermal growth factor receptor	0.0487	0.6192	0.5423
Echinococcus granulosus	protein jagged 1	0.0248	0.2934	0.1507
Loa Loa (eye worm)	animal heme peroxidase	0.0767	1	1
Echinococcus granulosus	epidermal growth factor receptor	0.0262	0.3124	0.1735
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Echinococcus multilocularis	slit 2 protein	0.0248	0.2934	0.1574
Schistosoma mansoni	tyrosine kinase	0.0487	0.6192	0.5423
Brugia malayi	Muscle positioning protein 4	0.0248	0.2934	0.1507
Echinococcus multilocularis	neural cadherin	0.0248	0.2934	0.1574
Brugia malayi	Furin-like cysteine rich region family protein	0.0487	0.6192	0.5423
Echinococcus multilocularis	protein jagged 1	0.0248	0.2934	0.1574
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Schistosoma mansoni	notch	0.0248	0.2934	0.1507
Loa Loa (eye worm)	TK/INSR protein kinase	0.0156	0.168	0.168
Schistosoma mansoni	tyrosine kinase	0.0259	0.3086	0.169
Brugia malayi	Animal haem peroxidase family protein	0.0767	1	1
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Schistosoma mansoni	notch	0.0248	0.2934	0.1507
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0248	0.2934	0.1574
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0248	0.2934	0.1574
Brugia malayi	EGF-like domain containing protein	0.0248	0.2934	0.1507
Schistosoma mansoni	laminin gamma-3 chain	0.0248	0.2934	0.1507
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Echinococcus granulosus	slit 2 protein	0.0248	0.2934	0.1507
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0248	0.2934	0.1507
Giardia lamblia	High cysteine protein	0.0248	0.2934	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.0252	0.2998	0.1584
Schistosoma mansoni	tyrosine kinase	0.0259	0.3086	0.169
Echinococcus multilocularis	fibropellin Ia	0.0248	0.2934	0.1574
Toxoplasma gondii	EGF family domain-containing protein	0.0248	0.2934	0.5
Onchocerca volvulus	Peroxidasin homolog	0.0767	1	1
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0248	0.2934	0.1507
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0487	0.6192	0.6192
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0156	0.168	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Echinococcus multilocularis	epidermal growth factor receptor	0.0262	0.3124	0.1801
Brugia malayi	EGF-like domain containing protein	0.0248	0.2934	0.1507
Loa Loa (eye worm)	animal heme peroxidase	0.0767	1	1
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Onchocerca volvulus	Chorion peroxidase homolog	0.0767	1	1
Loa Loa (eye worm)	hypothetical protein	0.0252	0.2998	0.2998
Echinococcus multilocularis	notch	0.0248	0.2934	0.1574
Schistosoma mansoni	hypothetical protein	0.0248	0.2934	0.1507
Schistosoma mansoni	peroxidasin	0.0767	1	1
Echinococcus granulosus	protein jagged 2	0.0248	0.2934	0.1507
Schistosoma mansoni	hypothetical protein	0.0248	0.2934	0.1507
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Echinococcus multilocularis	insulin receptor	0.0156	0.168	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Schistosoma mansoni	tyrosine kinase	0.0262	0.3124	0.1735
Echinococcus granulosus	protein jagged 1	0.0248	0.2934	0.1507
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0262	0.3124	0.1735
Loa Loa (eye worm)	hypothetical protein	0.0259	0.3089	0.3089
Brugia malayi	Animal haem peroxidase family protein	0.0767	1	1
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Onchocerca volvulus	Dual oxidase homolog	0.0767	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0248	0.2934	0.1507
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Onchocerca volvulus		0.0767	1	1
Schistosoma mansoni	hypothetical protein	0.0248	0.2934	0.1507
Loa Loa (eye worm)	hypothetical protein	0.0767	1	1
Brugia malayi	notch-like transmembrane receptor	0.0248	0.2934	0.1507
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2934	0.2934
Echinococcus granulosus	protein jagged 2	0.0248	0.2934	0.1507
Brugia malayi	Animal haem peroxidase family protein	0.0767	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	0 ug ml-1	inhibitory concentration against anti-human coronavirus (HCoV) was determined in MRC-5 cells (human fibroblasts); Inactive	ChEMBL.	15324901

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

PubChem: 3011881

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 323518