TDR Targets

Basic information

Technical information

TDR Targets ID: 1327930
Name: N-[4-[[2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4- benzoxazin-4-yl)acetyl]amino]phenyl]acetamide
MW: 488.514 | Formula: C22H24N4O7S
H donors: 2 H acceptors: 5 LogP: -0.09 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CN1C(=O)COc2c1cc(cc2)S(=O)(=O)N1CCOCC1)Nc1ccc(cc1)NC(=O)C
InChi: 1S/C22H24N4O7S/c1-15(27)23-16-2-4-17(5-3-16)24-21(28)13-26-19-12-18(6-7-20(19)33-14-22(26)29)34(30,31)25-8-10-32-11-9-25/h2-7,12H,8-11,13-14H2,1H3,(H,23,27)(H,24,28)
InChiKey: PFQHAULVGACSIX-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

N-[4-[[2-(6-morpholinosulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]phenyl]acetamide
N-[4-[[2-(6-morpholinosulfonyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]phenyl]acetamide
N-[4-[[2-(3-keto-6-morpholinosulfonyl-1,4-benzoxazin-4-yl)acetyl]amino]phenyl]acetamide
N-[4-[2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)ethanoylamino]phenyl]ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	tar DNA binding protein	0.0511	0.2514	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0256	0.5
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0113	0.0348	0.0346
Schistosoma mansoni	Smad4	0.0049	0.0002	0.0007
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0036	0.0034
Brugia malayi	MH1 domain containing protein	0.011	0.0331	0.033
Giardia lamblia	DNA repair protein RAD52	0.0345	0.161	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0113	0.0348	0.1377
Brugia malayi	MH2 domain containing protein	0.011	0.0331	0.033
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0113	0.0348	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0256	0.5
Echinococcus granulosus	peptidase Clp S14 family	0.0153	0.0568	0.2252
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0234	0.1005	0.3994
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.011	0.0331	0.1312
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0065	0.0063
Schistosoma mansoni	smad1 5 8 and	0.011	0.0331	0.1318
Brugia malayi	hypothetical protein	0.0091	0.0231	0.0229
Brugia malayi	latrophilin 2 splice variant baaae	0.0242	0.1052	0.105
Schistosoma mansoni	smad	0.011	0.0331	0.1318
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0113	0.0348	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0112	0.0345	0.1364
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0153	0.0568	0.245
Brugia malayi	Isocitrate dehydrogenase	0.0113	0.0348	0.0346
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0153	0.0568	0.245
Brugia malayi	MH1 domain containing protein	0.0061	0.0065	0.0063
Schistosoma mansoni	Smad4	0.011	0.0331	0.1318
Loa Loa (eye worm)	hypothetical protein	0.0234	0.1005	0.1004
Schistosoma mansoni	tar DNA-binding protein	0.0511	0.2514	1
Schistosoma mansoni	Smad4	0.0049	0.0002	0.0007
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0113	0.0348	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0113	0.0348	0.3296
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0234	0.1005	0.5
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0345	0.0343
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0112	0.0345	0.0343
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0234	0.1005	1
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.0345	0.161	1
Schistosoma mansoni	eyes absent homolog	0.0091	0.0231	0.0917
Loa Loa (eye worm)	MH2 domain-containing protein	0.161	0.8486	0.8485
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0112	0.0345	0.1364
Brugia malayi	Latrophilin receptor protein 2	0.0112	0.0345	0.0343
Brugia malayi	RNA binding protein	0.0511	0.2514	0.2513
Loa Loa (eye worm)	hypothetical protein	0.0242	0.1052	0.105
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0113	0.0348	1
Entamoeba histolytica	hypothetical protein	0.0098	0.0269	0.0092
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0234	0.1005	0.3994
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0256	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0112	0.0345	0.0343
Schistosoma mansoni	hypothetical protein	0.0242	0.1052	0.4182
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0113	0.0348	0.1383
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0234	0.1005	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.011	0.0331	0.033
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.008	0.0173	0.1511
Brugia malayi	RNA recognition motif domain containing protein	0.0511	0.2514	0.2513
Schistosoma mansoni	tar DNA-binding protein	0.0511	0.2514	1
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0096	0.0256	0.7166
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0234	0.1005	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0025	0.0023
Brugia malayi	MH2 domain containing protein	0.011	0.0331	0.033
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0354	0.1661	0.1659
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0112	0.0345	0.1364
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0036	0.0135
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0113	0.0348	0.1377
Schistosoma mansoni	hypothetical protein	0.0112	0.0345	0.137
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0256	0.5
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0234	0.1005	0.5
Brugia malayi	Probable ClpP-like protease	0.0234	0.1005	0.1004
Echinococcus multilocularis	mothers against decapentaplegic 5	0.011	0.0331	0.1312
Loa Loa (eye worm)	MH1 domain-containing protein	0.011	0.0331	0.033
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0036	0.0141
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0256	0.5
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0234	0.1005	1
Brugia malayi	MH1 domain containing protein	0.0061	0.0065	0.0063
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0096	0.0256	0.1013
Brugia malayi	Smad1	0.011	0.0331	0.033
Loa Loa (eye worm)	RNA binding protein	0.0511	0.2514	0.2513
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0036	0.0141
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0234	0.1005	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.011	0.0331	0.1312
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0234	0.1005	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0113	0.0348	0.1377
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0036	0.0135
Schistosoma mansoni	hypothetical protein	0.0112	0.0345	0.137
Schistosoma mansoni	tar DNA-binding protein	0.0511	0.2514	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0113	0.0348	0.1377
Schistosoma mansoni	smad1 5 8 and	0.011	0.0331	0.1318
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0153	0.0568	0.4744
Trypanosoma brucei	polo-like protein kinase	0.0096	0.0256	0.7166
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.0256	0.7166
Loa Loa (eye worm)	transcription factor SMAD2	0.161	0.8486	0.8485
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.0256	0.7166
Echinococcus granulosus	tar DNA binding protein	0.0511	0.2514	1
Echinococcus granulosus	GPCR family 2	0.0112	0.0345	0.1364
Schistosoma mansoni	tar DNA-binding protein	0.0511	0.2514	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0234	0.1005	0.3998
Echinococcus granulosus	Smad4	0.011	0.0331	0.1312
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0112	0.0345	0.1364
Brugia malayi	serine/threonine-protein kinase plk-2	0.0096	0.0256	0.0254
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0113	0.0348	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0153	0.0568	0.2252
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0231	0.0229
Schistosoma mansoni	hypothetical protein	0.0112	0.0345	0.137
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0096	0.0256	0.0254
Schistosoma mansoni	hypothetical protein	0.0112	0.0345	0.137
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0256	0.5
Toxoplasma gondii	isocitrate dehydrogenase	0.0113	0.0348	0.3296
Echinococcus multilocularis	GPCR, family 2	0.0112	0.0345	0.1364
Loa Loa (eye worm)	TAR-binding protein	0.0511	0.2514	0.2513
Loa Loa (eye worm)	nuclear factor I	0.0061	0.0065	0.0063
Schistosoma mansoni	smad1 5 8 and	0.011	0.0331	0.1318
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0036	0.0135
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0036	0.0141
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0354	0.1661	0.1659
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.011	0.0331	0.1318
Onchocerca volvulus		0.1888	1	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0113	0.0348	0.1377
Loa Loa (eye worm)	Smad1	0.011	0.0331	0.033
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0098	0.0269	0.0092
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0354	0.1661	0.1659
Echinococcus multilocularis	Smad4	0.011	0.0331	0.1312
Brugia malayi	hypothetical protein	0.0053	0.0025	0.0023
Schistosoma mansoni	tar DNA-binding protein	0.0511	0.2514	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0096	0.0256	0.1013
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0234	0.1005	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.1245	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0234	0.1005	0.5
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0113	0.0348	0.3296
Schistosoma mansoni	smad	0.0049	0.0002	0.0007
Echinococcus multilocularis	isocitrate dehydrogenase	0.0113	0.0348	0.1377
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0036	0.0135
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.008	0.0173	0.1511
Loa Loa (eye worm)	hypothetical protein	0.0354	0.1661	0.1659
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0096	0.0256	0.0254
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0511	0.2514	0.2513
Brugia malayi	TAR-binding protein	0.0511	0.2514	0.2513
Echinococcus multilocularis	smad	0.011	0.0331	0.1312
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0234	0.1005	1
Brugia malayi	isocitrate dehydrogenase	0.0113	0.0348	0.0346
Brugia malayi	MH1 domain containing protein	0.011	0.0331	0.033
Toxoplasma gondii	hypothetical protein	0.008	0.0173	0.1511
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0036	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0231	0.0229
Echinococcus granulosus	TGF beta signal transducer SmadC	0.011	0.0331	0.1312
Brugia malayi	MH2 domain containing protein	0.161	0.8486	0.8485
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.0256	0.5
Toxoplasma gondii	isocitrate dehydrogenase	0.0113	0.0348	0.3296
Schistosoma mansoni	serine/threonine protein kinase	0.0096	0.0256	0.1019
Echinococcus granulosus	smad	0.011	0.0331	0.1312
Loa Loa (eye worm)	hypothetical protein	0.1888	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 2.8184 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
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	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

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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: CHEMBL1470172

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 1327930