TDR Targets

Basic information

Technical information

TDR Targets ID: 310358
Name: N-(2-chlorophenyl)-3-hydroxy-2,7-dimethyl-1,1 -dioxobenzo[e]thiazine-4-carboxamide
MW: 378.83 | Formula: C17H15ClN2O4S
H donors: 2 H acceptors: 4 LogP: 3.16 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc2c(c1)S(=O)(=O)N(C(=C2C(=O)Nc1ccccc1Cl)O)C
InChi: 1S/C17H15ClN2O4S/c1-10-7-8-11-14(9-10)25(23,24)20(2)17(22)15(11)16(21)19-13-6-4-3-5-12(13)18/h3-9,22H,1-2H3,(H,19,21)
InChiKey: HWVIMRPVDNZEOH-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-(2-chlorophenyl)-3-hydroxy-2,7-dimethyl-1,1-dioxo-benzo[e]thiazine-4-carboxamide
N-(2-chlorophenyl)-3-hydroxy-2,7-dimethyl-1,1-dioxo-4-benzo[e]thiazinecarboxamide
N-(2-chlorophenyl)-3-hydroxy-2,7-dimethyl-1,1-dioxo-benzo[e][1,2]thiazine-4-carboxamide
N-(2-chlorophenyl)-3-hydroxy-1,1-diketo-2,7-dimethyl-benzo[e]thiazine-4-carboxamide

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
Onchocerca volvulus		0.0071	0.1262	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0071	0.1262	0.2538
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0169	0.0352
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0169	0.0352
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0169	0.0468
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0169	0.0155
Mycobacterium tuberculosis	Probable esterase LipL	0.0071	0.1262	0.125
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.6293	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0071	0.1262	0.4297
Echinococcus granulosus	beta LACTamase domain containing family member	0.0071	0.1262	0.2538
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0292	0.6293	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.6293	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0682	0.1372
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1262	0.2538
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.6293	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0071	0.1262	0.4297
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0036	0.0071
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0776	0.156
Brugia malayi	hypothetical protein	0.0108	0.2092	0.436
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0036	0.5
Brugia malayi	beta-lactamase family protein	0.0071	0.1262	0.263
Brugia malayi	beta-lactamase family protein	0.0071	0.1262	0.263
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1262	0.2538
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0227	0.48	0.9651
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.6293	1
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0169	0.0468
Onchocerca volvulus		0.0071	0.1262	1
Mycobacterium leprae	conserved hypothetical protein	0.0071	0.1262	0.4017
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0036	0.0071
Brugia malayi	follicle stimulating hormone receptor	0.0227	0.48	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0682	0.1372
Loa Loa (eye worm)	beta-lactamase	0.0071	0.1262	0.2538
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0036	0.0071
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0682	0.1372
Mycobacterium ulcerans	hypothetical protein	0.0071	0.1262	0.4297
Toxoplasma gondii	ABC1 family protein	0.0071	0.1262	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0169	0.034
Mycobacterium tuberculosis	Probable hydrolase	0.0071	0.1262	0.125
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.6293	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0169	0.0468
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1262	0.2538
Leishmania major	hypothetical protein, conserved	0.0071	0.1262	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0682	0.1372
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0169	0.0468
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0682	0.1421
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1262	0.2538
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.1262	0.5
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0169	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1262	0.2538
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0292	0.6293	1
Mycobacterium leprae	Probable lipase LipE	0.0071	0.1262	0.4017
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0234	0.4973	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.1262	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0071	0.1262	0.125
Echinococcus granulosus	geminin	0.017	0.3498	0.7033
Treponema pallidum	fructose-bisphosphate aldolase	0.0292	0.6293	0.5
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0143	0.2891	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.6293	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0143	0.2891	0.2881
Mycobacterium tuberculosis	Conserved protein	0.0071	0.1262	0.125
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0234	0.4973	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0169	0.034
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0169	0.0352
Mycobacterium tuberculosis	Conserved protein	0.0071	0.1262	0.125
Giardia lamblia	Fructose-bisphosphate aldolase	0.0292	0.6293	0.5
Onchocerca volvulus		0.0071	0.1262	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0776	0.156
Mycobacterium tuberculosis	Conserved protein	0.0071	0.1262	0.125
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0036	0.0022
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0417	0.0868
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0036	0.0071
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0682	0.1372
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0036	0.0071
Schistosoma mansoni	hypothetical protein	0.017	0.3498	0.7033
Echinococcus multilocularis	geminin	0.017	0.3498	0.7033
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0169	0.0468
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0143	0.2891	1
Trypanosoma brucei	hypothetical protein, conserved	0.0071	0.1262	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0169	0.034
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0036	0.5
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0071	0.1262	0.125
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0682	0.1372
Plasmodium vivax	hypothetical protein, conserved	0.0071	0.1262	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0417	0.0838
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0776	0.1616
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0234	0.4973	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0682	0.1372
Brugia malayi	beta-lactamase	0.0071	0.1262	0.263
Schistosoma mansoni	hypothetical protein	0.017	0.3498	0.7033
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0071	0.1262	0.125
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0682	0.1372
Mycobacterium ulcerans	lipase LipD	0.0071	0.1262	0.4297
Schistosoma mansoni	hypothetical protein	0.0034	0.0417	0.0838
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0169	0.0468
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0071	0.1262	0.2538
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0169	0.0468
Mycobacterium tuberculosis	Probable lipase LipE	0.0071	0.1262	0.125
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.6293	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	0.6293	1
Mycobacterium ulcerans	beta-lactamase	0.0071	0.1262	0.4297
Mycobacterium tuberculosis	Probable lipase LipD	0.0071	0.1262	0.125
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0071	0.1262	0.263
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0071	0.1262	0.2538
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0169	0.0468
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1262	0.2538
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0776	0.1616
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0071	0.1262	0.2538
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0234	0.4973	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= -2 %	Inhibition of human Prostaglandin G/H synthase 2 at 10 ug/mL expressed as mean percent inhibition of control PGE-2 production	ChEMBL.	9083488
Inhibition (binding)	= -2 %	Inhibition of human Prostaglandin G/H synthase 2 at 10 ug/mL expressed as mean percent inhibition of control PGE-2 production	ChEMBL.	9083488
Inhibition (binding)	= 17 %	Inhibition of human Prostaglandin G/H synthase 2 at 1 ug/mL expressed as mean percent inhibition of control PGE-2 production	ChEMBL.	9083488
Inhibition (binding)	= 17 %	Inhibition of human Prostaglandin G/H synthase 2 at 1 ug/mL expressed as mean percent inhibition of control PGE-2 production	ChEMBL.	9083488
Inhibition (binding)	= 33 %	Inhibition of human Prostaglandin G/H synthase 2 at 0.1 ug/mL expressed as mean percent inhibition of control PGE-2 production	ChEMBL.	9083488
Inhibition (binding)	= 33 %	Inhibition of human Prostaglandin G/H synthase 2 at 0.1 ug/mL expressed as mean percent inhibition of control PGE-2 production	ChEMBL.	9083488
Inhibition (binding)	= 63 %	Inhibition of human Prostaglandin G/H synthase 1 at 0.1 ug/mL expressed as mean percent inhibition of control PGE-2 production	ChEMBL.	9083488
Inhibition (binding)	= 63 %	Inhibition of human Prostaglandin G/H synthase 1 at 0.1 ug/mL expressed as mean percent inhibition of control PGE-2 production	ChEMBL.	9083488
Inhibition (binding)	= 97 %	Inhibition of human Prostaglandin G/H synthase 1 at 10 ug/mL expressed as mean percent inhibition of control PGE-2 production	ChEMBL.	9083488
Inhibition (binding)	= 97 %	Inhibition of human Prostaglandin G/H synthase 1 at 10 ug/mL expressed as mean percent inhibition of control PGE-2 production	ChEMBL.	9083488
Inhibition (binding)	= 98 %	Inhibition of human Prostaglandin G/H synthase 1 at 1 ug/mL expressed as mean percent inhibition of control PGE-2 production	ChEMBL.	9083488
Inhibition (binding)	= 98 %	Inhibition of human Prostaglandin G/H synthase 1 at 1 ug/mL expressed as mean percent inhibition of control PGE-2 production	ChEMBL.	9083488

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: CHEMBL178020
PubChem: 10595850

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 310358