TDR Targets

Basic information

Technical information

TDR Targets ID: 274099
Name: 2-(2-chlorophenyl)-3,1-benzoxazin-4-one
MW: 257.672 | Formula: C14H8ClNO2
H donors: 0 H acceptors: 1 LogP: 3.55 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1c1nc2ccccc2c(=O)o1
InChi: 1S/C14H8ClNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
InChiKey: TYZXFRGEMSHXIR-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

2-(2-chlorophenyl)-4H-3,1-benzoxazin-4-one
AH-034/01372006
Oprea1_160590
ZINC00127360
IDI1_012660
Maybridge3_001273
ST015590
2-(2-Chloro-phenyl)-benzo[d][1,3]oxazin-4-one
BAS 02589001
Oprea1_018878

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	complement component 1, r subcomponent	Starlite/ChEMBL	No references

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

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 17.3 uM	Inhibition of C1r serine protease	ChEMBL.	No reference
IC50 (binding)	= 17.3 uM	Inhibition of C1r serine protease	ChEMBL.	No reference
IC50 (binding)	= 45 uM	Inhibitory activity against C1r serine protease	ChEMBL.	No reference
IC50 (binding)	= 45 uM	Inhibitory activity against C1r serine protease	ChEMBL.	No reference
IC50 (binding)	> 62.5 uM	Inhibitory activity against C1r serine protease	ChEMBL.	No reference
IC50 (binding)	> 62.5 uM	Inhibitory activity against C1r serine protease	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: CHEMBL158462
PubChem: 722879
Search by Saint Jude

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 274099