TDR Targets

Basic information

Technical information

TDR Targets ID: 1411490
Name: 4-acetyl-N-(5-chloro-2,4-dimethoxyphenyl)-6-m ethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonami de
MW: 440.898 | Formula: C19H21ClN2O6S
H donors: 1 H acceptors: 3 LogP: 2.48 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(OC)c(cc1NS(=O)(=O)c1cc2OCCN(c2cc1C)C(=O)C)Cl
InChi: 1S/C19H21ClN2O6S/c1-11-7-15-18(28-6-5-22(15)12(2)23)10-19(11)29(24,25)21-14-8-13(20)16(26-3)9-17(14)27-4/h7-10,21H,5-6H2,1-4H3
InChiKey: SXPUERJNWCZVMC-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

4-acetyl-N-(5-chloro-2,4-dimethoxy-phenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
N-(5-chloro-2,4-dimethoxy-phenyl)-4-ethanoyl-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
E470-1365
NCGC00121970-01

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
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0023	0.0901	0.0901
Leishmania major	cysteine peptidase A (CPA)	0.0023	0.0901	0.0694
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0901	0.0901
Loa Loa (eye worm)	cytochrome P450	0.0018	0.0223	0.0223
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0901	0.0694
Echinococcus multilocularis	cathepsin L cysteine protease	0.0023	0.0901	0.0694
Echinococcus multilocularis	cysteine protease	0.0023	0.0901	0.0694
Onchocerca volvulus		0.0023	0.0901	0.0901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0.0901	0.0901
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.1237	0.1237
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0102	1	1
Mycobacterium leprae	Conserved hypothetical protein	0.0018	0.0223	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0901	0.0694
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0901	0.0694
Loa Loa (eye worm)	CYP4Cod1	0.0026	0.1237	0.1237
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0023	0.0901	0.0694
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0901	0.0694
Brugia malayi	Cytochrome P450 family protein	0.0026	0.1237	0.1237
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0901	0.0901
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0901	0.0694
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0102	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0901	0.0694
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0901	0.0901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0901	0.0901
Leishmania major	cytochrome p450-like protein	0.0026	0.1237	0.1037
Leishmania major	eukaryotic initiation factor 4a, putative	0.0102	1	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0102	1	1
Loa Loa (eye worm)	fibroinase	0.0023	0.0901	0.0901
Echinococcus granulosus	cathepsin l1	0.0023	0.0901	0.0901
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0102	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0901	0.0901
Onchocerca volvulus	Cathepsin F homolog	0.0023	0.0901	0.0901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0.0901	0.0901
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0102	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0901	0.0694
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0901	0.0901
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0901	0.0901
Schistosoma mansoni	cytochrome P450	0.0018	0.0223	0.0223
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0018	0.0223	0.0223
Leishmania major	cathepsin L-like protease	0.0023	0.0901	0.0694
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0901	0.0901
Loa Loa (eye worm)	ctsf protein	0.0023	0.0901	0.0901
Leishmania major	cathepsin L-like protease	0.0023	0.0901	0.0694
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0901	0.0901
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0901	0.0901
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0102	1	1
Trypanosoma brucei	cytochrome P450, putative	0.0026	0.1237	0.1037
Brugia malayi	Cytochrome P450 family protein	0.0018	0.0223	0.0223
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0901	0.0901
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0901	0.0901
Onchocerca volvulus		0.0023	0.0901	0.0901
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0901	0.0901
Onchocerca volvulus		0.0023	0.0901	0.0901
Onchocerca volvulus	Cathepsin L homolog	0.0023	0.0901	0.0901
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0901	0.0694
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0901	0.0901
Leishmania major	cathepsin L-like protease	0.0023	0.0901	0.0694
Leishmania major	eukaryotic initiation factor 4a, putative	0.0102	1	1
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0102	1	1
Mycobacterium leprae	putative cytochrome p450	0.0018	0.0223	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0901	0.0901
Leishmania major	cathepsin L-like protease	0.0023	0.0901	0.0694
Loa Loa (eye worm)	hypothetical protein	0.0102	1	1
Leishmania major	cathepsin L-like protease	0.0023	0.0901	0.0694
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0901	0.0901
Leishmania major	cathepsin L-like protease	0.0023	0.0901	0.0694
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0901	0.0901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0901	0.0901
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0901	0.0901
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0102	1	1
Leishmania major	cathepsin L-like protease	0.0023	0.0901	0.0694
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0102	1	1
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0102	1	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0901	0.0901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0901	0.0901
Leishmania major	cathepsin L-like protease	0.0023	0.0901	0.0694
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0023	0.0901	0.0901
Brugia malayi	Cytochrome P450 family protein	0.0026	0.1237	0.1237
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0901	0.0901
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0901	0.0694
Echinococcus multilocularis	cysteine protease	0.0023	0.0901	0.0694
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0901	0.0901
Onchocerca volvulus		0.0023	0.0901	0.0901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0901	0.0901
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0901	0.0901
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0102	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.0901	0.0901
Onchocerca volvulus		0.0023	0.0901	0.0901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0901	0.0901
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0102	1	1
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0901	0.0901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0901	0.0901
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.1237	0.1237
Onchocerca volvulus		0.0023	0.0901	0.0901
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0901	0.0901
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.1237	0.1237
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0901	0.0901
Echinococcus multilocularis	cathepsin L cysteine protease	0.0023	0.0901	0.0694
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0102	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0901	0.0694
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0023	0.0901	0.0694
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0901	0.0694
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0102	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0901	0.0901
Schistosoma mansoni	hypothetical protein	0.0018	0.0223	0.0223
Toxoplasma gondii	cathepsin CPL	0.0023	0.0901	0.0694
Brugia malayi	Cytochrome P450 family protein	0.0056	0.464	0.464
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.0901	0.0901
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0023	0.0901	0.0901
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0102	1	1
Loa Loa (eye worm)	cysteine protease	0.0023	0.0901	0.0901
Trypanosoma cruzi	cruzipain precursor, putative	0.0023	0.0901	0.0901
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0102	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0023	0.0901	0.0901
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.1237	0.1237
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0901	0.0901
Plasmodium vivax	RNA helicase-1, putative	0.0102	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0023	0.0901	0.0901
Brugia malayi	cytochrome P450	0.0018	0.0223	0.0223
Echinococcus granulosus	cytochrome P450 2K1	0.0018	0.0223	0.0223
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0018	0.0223	0.0223
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0901	0.0901
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0102	1	1
Onchocerca volvulus		0.0023	0.0901	0.0901
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0102	1	1
Treponema pallidum	ATP-dependent RNA helicase	0.0102	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0901	0.0901
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0018	0.0223	0.0223
Loa Loa (eye worm)	cytochrome P450 family protein	0.0056	0.464	0.464
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0901	0.0901
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0901	0.0901
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0026	0.1237	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0901	0.0901
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0023	0.0901	0.0901

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.8184 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	= 89.1251 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1552827

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1411490