TDR Targets

Basic information

Technical information

TDR Targets ID: 1538753
Name: 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin- 4-yl]-N-methyl-N-(phenylmethyl)acetamide
MW: 445.532 | Formula: C22H27N3O5S
H donors: 0 H acceptors: 4 LogP: 1.96 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCN(S(=O)(=O)c1ccc2c(c1)N(CC(=O)N(Cc1ccccc1)C)C(=O)CO2)CC
InChi: 1S/C22H27N3O5S/c1-4-24(5-2)31(28,29)18-11-12-20-19(13-18)25(22(27)16-30-20)15-21(26)23(3)14-17-9-7-6-8-10-17/h6-13H,4-5,14-16H2,1-3H3
InChiKey: VKDZTYPQLHGOSR-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

N-(benzyl)-2-[6-(diethylsulfamoyl)-3-keto-1,4-benzoxazin-4-yl]-N-methyl-acetamide
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-methyl-N-(phenylmethyl)ethanamide
C534-0179
NCGC00109715-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.005	0.0607	0.0607
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0027	0.0037	0.029
Trypanosoma cruzi	aminopeptidase, putative	0.0027	0.0037	0.029
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1975	0.1975
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0077	0.1281	0.4115
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0027	0.0037	0.029
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0077	0.1281	0.1249
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0027	0.0037	1
Mycobacterium ulcerans	hypothetical protein	0.0148	0.3061	1
Echinococcus granulosus	GPCR family 2	0.0048	0.0572	0.0536
Schistosoma mansoni	hypothetical protein	0.0048	0.0572	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0572	0.0572
Echinococcus granulosus	aminopeptidase N	0.0077	0.1281	0.1249
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0027	0.0037	0.0037
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0077	0.1281	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0964	0.0931
Brugia malayi	Peptidase family M1 containing protein	0.0027	0.0037	0.0037
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0077	0.1281	0.1249
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0148	0.3061	1
Schistosoma mansoni	hypothetical protein	0.0048	0.0572	0.0536
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0077	0.1281	0.1249
Trypanosoma brucei	Aminopeptidase M1, putative	0.0077	0.1281	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0425	1	1
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0077	0.1281	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0077	0.1281	0.1249
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0964	0.0964
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0077	0.1281	0.1249
Loa Loa (eye worm)	aminopeptidase N	0.0077	0.1281	0.1281
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0148	0.3061	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.005	0.0607	0.0607
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0425	1	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0048	0.0572	0.0536
Onchocerca volvulus		0.0077	0.1281	0.2253
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0027	0.0037	0.029
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0037	0.0037
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0964	0.0964
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.0572	0.0572
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0077	0.1281	0.4115
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0148	0.3061	0.5
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0027	0.0037	1
Trypanosoma brucei	Aminopeptidase M1, putative	0.0077	0.1281	1
Entamoeba histolytica	aminopeptidase, putative	0.0077	0.1281	0.5
Loa Loa (eye worm)	pax transcription factor protein 2	0.0247	0.556	0.556
Brugia malayi	TATA binding protein associated factor	0.0027	0.0037	0.0037
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0077	0.1281	0.1249
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0027	0.0037	0.029
Trypanosoma brucei	aminopeptidase, putative	0.0027	0.0037	0.029
Echinococcus multilocularis	GPCR, family 2	0.0048	0.0572	0.0536
Toxoplasma gondii	aminopeptidase N, putative	0.0027	0.0037	1
Brugia malayi	hypothetical protein	0.0027	0.0037	0.0037
Loa Loa (eye worm)	TATA binding protein associated factor	0.0027	0.0037	0.0037
Brugia malayi	Pax transcription factor protein 2	0.0247	0.556	0.556
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0077	0.1281	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0153	0.3184	0.3184
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0027	0.0037	0.029
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0964	0.0931
Schistosoma mansoni	hypothetical protein	0.0104	0.1975	0.1945
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0037	0.0037
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0077	0.1281	0.1249
Brugia malayi	Peptidase family M1 containing protein	0.0077	0.1281	0.1281
Loa Loa (eye worm)	hypothetical protein	0.0153	0.3184	0.3184
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.0572	0.0572
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0048	0.0572	0.0536
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.0572	0.0572
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.005	0.0607	0.4735
Onchocerca volvulus		0.0247	0.556	1
Onchocerca volvulus		0.0077	0.1281	0.2253
Brugia malayi	hypothetical protein	0.0077	0.1281	0.1281
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0425	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0153	0.3184	0.3184
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0425	1	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0077	0.1281	0.1249
Echinococcus multilocularis	aminopeptidase N	0.0077	0.1281	0.1249
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0027	0.0037	0.029
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0077	0.1281	0.1249
Schistosoma mansoni	hypothetical protein	0.0048	0.0572	0.0536
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0077	0.1281	0.1249
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0964	0.0931
Mycobacterium tuberculosis	Probable aminotransferase	0.0148	0.3061	0.5
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0077	0.1281	1
Toxoplasma gondii	aminopeptidase n, putative	0.0027	0.0037	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0077	0.1281	0.1249
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0048	0.0572	0.0536
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0425	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0104	0.1975	0.1975
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0425	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0964	0.0931
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0425	1	1
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0027	0.0037	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0153	0.3184	0.3184
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0027	0.0037	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0048	0.0572	0.0536
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0077	0.1281	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0964	0.0931
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0027	0.0037	0.0037
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0148	0.3061	1
Brugia malayi	RNA binding protein	0.0064	0.0964	0.0964
Toxoplasma gondii	aminopeptidase N protein	0.0027	0.0037	1
Mycobacterium ulcerans	aminopeptidase N PepN	0.0077	0.1281	0.4115
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0964	0.0964
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0077	0.1281	0.1249
Brugia malayi	TAR-binding protein	0.0064	0.0964	0.0964
Trypanosoma cruzi	aminopeptidase, putative	0.0077	0.1281	1
Brugia malayi	Peptidase family M1 containing protein	0.0077	0.1281	0.1281
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.005	0.0607	0.0572
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.005	0.0607	0.0572
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0964	0.0964
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0037	0.0037
Schistosoma mansoni	hypothetical protein	0.0048	0.0572	0.0536
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0964	0.0931
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0964	0.0931
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0425	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 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: CHEMBL1902593

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 1538753