TDR Targets

Basic information

Technical information

TDR Targets ID: 452982
Name: 6-(3,4-dichloroanilino)-1,4,4-trimethyl-3,1-b enzoxazin-2-one
MW: 351.227 | Formula: C17H16Cl2N2O2
H donors: 1 H acceptors: 1 LogP: 4.65 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=C1OC(C)(C)c2c(N1C)ccc(c2)Nc1ccc(c(c1)Cl)Cl
InChi: 1S/C17H16Cl2N2O2/c1-17(2)12-8-10(5-7-15(12)21(3)16(22)23-17)20-11-4-6-13(18)14(19)9-11/h4-9,20H,1-3H3
InChiKey: SGSIACSKFVPXQO-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-[(3,4-dichlorophenyl)amino]-1,4,4-trimethyl-3,1-benzoxazin-2-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	progesterone receptor	Starlite/ChEMBL	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
Loa Loa (eye worm)	hypothetical protein	0.0261	0.0357	0.0126
Brugia malayi	hypothetical protein	0.0202	0.0233	0.0033
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.1595	0.3128	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0202	0.0233	0.0033
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0202	0.0233	0.0033
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1595	0.3128	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0207	0.0245	0.0045
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0261	0.0357	0.0159
Onchocerca volvulus		0.031	0.0458	0.1464
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0202	0.0233	0.0033
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.031	0.0458	0.0262
Onchocerca volvulus		0.0202	0.0233	0.0746
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Echinococcus multilocularis		0.0202	0.0233	0.0033
Brugia malayi	Protein-tyrosine phosphatase 1	0.0202	0.0233	0.0033
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0207	0.0245	0.0045
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.031	0.0458	0.0262
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0202	0.0233	0.0033
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0202	0.0233	0.0033
Onchocerca volvulus		0.0202	0.0233	0.0746
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0202	0.0233	0.0033
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0202	0.0233	0.0033
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0202	0.0233	0.0033
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0202	0.0233	0.0033
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.031	0.0458	0.0262
Onchocerca volvulus		0.0202	0.0233	0.0746
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0202	0.0233	0.0033
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0202	0.0233	0.0033
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0207	0.0245	0.0045
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Schistosoma mansoni	pcd6 interacting protein-related	0.0202	0.0233	0.0033
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0207	0.0245	0.0045
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0261	0.0357	0.0159
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0202	0.0233	0.0033
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.031	0.0458	0.0262
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0202	0.0233	0.0033
Brugia malayi	Protein-tyrosine phosphatase	0.0291	0.0419	0.0223
Onchocerca volvulus		0.0202	0.0233	0.0746
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.1595	0.3128	0.2987
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0202	0.0233	0.0515
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.1595	0.3128	0.2964
Onchocerca volvulus		0.0202	0.0233	0.0746
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0492	0.0836	1
Onchocerca volvulus		0.0202	0.0233	0.0746
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.031	0.0458	0.0262
Onchocerca volvulus		0.0202	0.0233	0.0746
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0207	0.0245	0.0045
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0202	0.0233	0.0033
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0202	0.0233	0.0033
Onchocerca volvulus		0.0202	0.0233	0.0746
Onchocerca volvulus		0.0202	0.0233	0.0746
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.1595	0.3128	1
Onchocerca volvulus		0.0202	0.0233	0.0746
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Toxoplasma gondii	DNA/RNA non-specific endonuclease	0.0186	0.0201	0.5
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0202	0.0233	0.0033
Echinococcus granulosus	ectonucleotide	0.0261	0.0357	0.0159
Onchocerca volvulus		0.0202	0.0233	0.0746
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.1595	0.3128	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0202	0.0233	0.0033
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0202	0.0233	0.0033
Brugia malayi	hypothetical protein	0.0202	0.0233	0.0033
Onchocerca volvulus		0.0202	0.0233	0.0746
Echinococcus multilocularis	ectonucleotide	0.0261	0.0357	0.0159
Onchocerca volvulus		0.0202	0.0233	0.0746
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0202	0.0233	0.0033
Brugia malayi	Protein-tyrosine phosphatase	0.0202	0.0233	0.0033
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0492	0.0836	0.208
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0202	0.0233	0.0033
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Brugia malayi	hypothetical protein	0.0202	0.0233	0.0033
Onchocerca volvulus		0.0202	0.0233	0.0746
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.031	0.0458	0.0262
Onchocerca volvulus		0.0202	0.0233	0.0746
Onchocerca volvulus		0.0202	0.0233	0.0746
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0202	0.0233	0.0033
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.031	0.0458	0.0262
Onchocerca volvulus		0.0202	0.0233	0.0746
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0202	0.0233	0.0033
Onchocerca volvulus		0.1595	0.3128	1
Schistosoma mansoni	protein tyrosine phosphatase	0.0202	0.0233	0.0033
Onchocerca volvulus		0.0202	0.0233	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0286	0.0408	0.0179
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0202	0.0233	0.0033
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0202	0.0233	0.0033
Leishmania major	hypothetical protein, conserved	0.0492	0.0836	1
Brugia malayi	hypothetical protein	0.0202	0.0233	0.0033
Schistosoma mansoni	protein tyrosine phosphatase	0.0202	0.0233	0.0033
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.031	0.0458	0.0262
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0202	0.0233	0.0033
Leishmania major	protein-tyrosine phosphatase 1-like protein	0.0202	0.0233	0.0515
Onchocerca volvulus		0.0202	0.0233	0.0746
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0202	0.0233	0.0033
Onchocerca volvulus		0.0669	0.1204	0.3848
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.1103	0.2107	0.5
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0202	0.0233	0.0515
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.1595	0.3128	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0492	0.0836	0.208
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0202	0.0233	0.0033
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0207	0.0245	0.0045
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1595	0.3128	1
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.031	0.0458	0.0262
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.031	0.0458	0.0262
Onchocerca volvulus		0.0202	0.0233	0.0746
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.4902	1	1
Onchocerca volvulus		0.0202	0.0233	0.0746
Trypanosoma cruzi	hypothetical protein, conserved	0.0492	0.0836	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.031	0.0458	0.0262
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.031	0.0458	0.0262
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0202	0.0233	0.0033
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0207	0.0245	0.0045
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.031	0.0458	0.0262
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0202	0.0233	0.0033
Onchocerca volvulus		0.0202	0.0233	0.0746
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0202	0.0233	0.0033
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1595	0.3128	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.4902	1	1
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.4902	1	1
Brugia malayi	hypothetical protein	0.0202	0.0233	0.0033
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0207	0.0245	0.0045
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1595	0.3128	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Leishmania major	tyrosine specific protein phosphatase, putative	0.0202	0.0233	0.0515
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1595	0.3128	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0202	0.0233	0.0033
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0202	0.0233	0.0033
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0202	0.0233	0.0033
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0207	0.0245	0.0045
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0202	0.0233	0.0033
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.031	0.0458	0.0262
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0202	0.0233	0.0033
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Loa Loa (eye worm)	hypothetical protein	0.031	0.0458	0.023
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0202	0.0233	0.0033
Trypanosoma brucei	protein tyrosine phosphatase 1	0.0202	0.0233	0.0515
Onchocerca volvulus	4.1 G protein, putative homolog	0.0202	0.0233	0.0746
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Onchocerca volvulus		0.0202	0.0233	0.0746
Echinococcus multilocularis	hypothetical protein	0.0202	0.0233	0.0033
Onchocerca volvulus		0.031	0.0458	0.1464
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0207	0.0245	0.0045
Trypanosoma cruzi	hypothetical protein, conserved	0.0492	0.0836	1
Loa Loa (eye worm)	hypothetical protein	0.031	0.0458	0.023
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0202	0.0233	0.0033
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.031	0.0458	0.0262
Schistosoma mansoni	hypothetical protein	0.0669	0.1204	0.1023
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0202	0.0233	0.0033
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0207	0.0245	0.0045
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.031	0.0458	0.0262
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0207	0.0245	0.0011
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0669	0.1204	0.1023
Loa Loa (eye worm)	hypothetical protein	0.031	0.0458	0.023
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0669	0.1204	0.0993
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0207	0.0245	0.0045
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0202	0.0233	0.0033
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.4902	1	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0202	0.0233	0.0033
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0202	0.0233	0.0515
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1595	0.3128	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0207	0.0245	0.0045
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0207	0.0245	0.0045
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0207	0.0245	0.0045
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0202	0.0233	0.0033
Schistosoma mansoni	protein tyrosine phosphatase	0.0207	0.0245	0.0045

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 100 nM	Antagonist activity at progesterone receptor expressed in T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity	ChEMBL.	17027272
IC50 (functional)	= 100 nM	Antagonist activity at progesterone receptor expressed in T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity	ChEMBL.	17027272

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: 11175557

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 452982