TDR Targets

Basic information

Technical information

TDR Targets ID: 80564
Name: 2-(1-benzyl-5-chloro-2,2-dioxo-4H-benzo[c][1, 2,6]thiadiazin-3-yl)-N-hydroxyacetamide
MW: 381.834 | Formula: C16H16ClN3O4S
H donors: 2 H acceptors: 4 LogP: 1.53 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)CN1Cc2c(Cl)cccc2N(S1(=O)=O)Cc1ccccc1
InChi: 1S/C16H16ClN3O4S/c17-14-7-4-8-15-13(14)10-19(11-16(21)18-22)25(23,24)20(15)9-12-5-2-1-3-6-12/h1-8,22H,9-11H2,(H,18,21)
InChiKey: AMIXMTXISAZXBZ-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

2-(1-benzyl-5-chloro-2,2-dioxo-4H-benzo[c][1,2,6]thiadiazin-3-yl)ethanehydroxamic acid
2-[5-chloro-2,2-dioxo-1-(phenylmethyl)-4H-benzo[c][1,2,6]thiadiazin-3-yl]-N-hydroxy-ethanamide
2-(1-benzyl-5-chloro-2,2-diketo-4H-benzo[c][1,2,6]thiadiazin-3-yl)ethanehydroxamic acid
2-[5-chloro-2,2-dioxo-1-(phenylmethyl)-4H-benzo[d][1,2,6]thiadiazin-3-yl]-N-hydroxyacetamide
2-[5-chloro-2,2-dioxo-1-(phenylmethyl)-4H-benzo[d][1,2,6]thiadiazin-3-yl]ethanehydroxamic acid
2-[1-(benzyl)-5-chloro-2,2-diketo-4H-benzo[d][1,2,6]thiadiazin-3-yl]ethanehydroxamic acid
2-[5-chloro-2,2-dioxo-1-(phenylmethyl)-4H-benzo[d][1,2,6]thiadiazin-3-yl]-N-hydroxy-ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	peptide deformylase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	Peptide deformylase, related	Get druggable targets OG5_128237	All targets in OG5_128237
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	Get druggable targets OG5_128237	All targets in OG5_128237
Plasmodium knowlesi	peptide deformylase, putative	Get druggable targets OG5_128237	All targets in OG5_128237
Plasmodium falciparum	peptide deformylase	Get druggable targets OG5_128237	All targets in OG5_128237
Plasmodium berghei	peptide deformylase, putative	Get druggable targets OG5_128237	All targets in OG5_128237
Mycobacterium ulcerans	peptide deformylase	Get druggable targets OG5_128237	All targets in OG5_128237
Toxoplasma gondii	hypothetical protein	Get druggable targets OG5_128237	All targets in OG5_128237
Chlamydia trachomatis	peptide deformylase	Get druggable targets OG5_128237	All targets in OG5_128237
Plasmodium vivax	peptide deformylase, putative	Get druggable targets OG5_128237	All targets in OG5_128237
Treponema pallidum	polypeptide deformylase (def)	Get druggable targets OG5_128237	All targets in OG5_128237
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	Get druggable targets OG5_128237	All targets in OG5_128237
Plasmodium yoelii	polypeptide deformylase, putative	Get druggable targets OG5_128237	All targets in OG5_128237
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	Get druggable targets OG5_128237	All targets in OG5_128237

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)	runx1	0.0054	0.08	0.08
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0041	0.0464	0.0464
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0041	0.0464	0.0464
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0036	0.0356	0.0356
Brugia malayi	ecdysteroid receptor	0.0041	0.0464	0.0464
Leishmania major	polypeptide deformylase-like protein, putative	0.0106	0.2061	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.0437	0.1246
Brugia malayi	hypothetical protein	0.0035	0.0335	0.0335
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0041	0.0464	0.1325
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0082	0.1475	0.4208
Entamoeba histolytica	hypothetical protein	0.0035	0.0335	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0041	0.0464	0.0464
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0041	0.0464	0.0464
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.0299	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0041	0.0464	0.0464
Schistosoma mansoni	hypothetical protein	0.0035	0.0335	0.0955
Onchocerca volvulus	Protein ultraspiracle homolog	0.0041	0.0464	0.0348
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0041	0.0464	0.0464
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0041	0.0464	0.1325
Plasmodium vivax	peptide deformylase, putative	0.0279	0.6243	0.5
Schistosoma mansoni	lamin	0.0026	0.0121	0.0344
Entamoeba histolytica	hypothetical protein	0.0035	0.0335	0.5
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0434	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0041	0.0464	0.1325
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.3454	0.9856
Schistosoma mansoni	lozenge	0.0054	0.08	0.2282
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0121	0.0121
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0123	0.247	0.7048
Schistosoma mansoni	hypothetical protein	0.0067	0.1101	0.3141
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0464	0.0464
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0041	0.0464	0.0464
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0041	0.0464	0.1325
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.3454	0.9856
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0464	0.0464
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0123	0.247	0.7048
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0464	0.0464
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0279	0.6243	0.5
Trypanosoma brucei	Peptide deformylase 2	0.0106	0.2061	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0121	0.0121
Schistosoma mansoni	hypothetical protein	0.0166	0.3505	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0041	0.0464	0.0464
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0164	0.3454	0.9856
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0041	0.0464	0.0464
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0041	0.0464	0.0464
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0121	0.0344
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0036	0.0356	0.1016
Entamoeba histolytica	hypothetical protein	0.0035	0.0335	0.5
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.2061	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0041	0.0464	0.0464
Brugia malayi	photoreceptor-specific nuclear receptor	0.0041	0.0464	0.0464
Mycobacterium ulcerans	peptide deformylase	0.0279	0.6243	0.5
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0041	0.0464	0.1325
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0036	0.0356	0.1016
Echinococcus granulosus	lamin	0.0026	0.0121	0.0344
Schistosoma mansoni	hypothetical protein	0.0166	0.3505	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0464	0.0464
Treponema pallidum	polypeptide deformylase (def)	0.0279	0.6243	0.5
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0279	0.6243	0.5
Loa Loa (eye worm)	hypothetical protein	0.0434	1	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0036	0.0356	0.0356
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.2061	0.5
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0041	0.0464	0.1325
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0464	0.0464
Echinococcus multilocularis	Protein lozenge	0.0054	0.08	0.2282
Onchocerca volvulus		0.0434	1	1
Brugia malayi	bZIP transcription factor family protein	0.0082	0.1475	0.1475
Brugia malayi	steroid hormone receptor	0.0041	0.0464	0.0464
Schistosoma mansoni	hypothetical protein	0.0123	0.247	0.7048
Schistosoma mansoni	RAR-like nuclear receptor	0.0041	0.0464	0.1325
Echinococcus multilocularis	jun protein	0.0082	0.1475	0.4208
Schistosoma mansoni	hypothetical protein	0.0051	0.0708	0.2021
Chlamydia trachomatis	peptide deformylase	0.0279	0.6243	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0041	0.0464	0.1325
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0041	0.0464	0.1325
Onchocerca volvulus	Bile acid receptor homolog	0.0041	0.0464	0.0348
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0041	0.0464	0.0348
Echinococcus granulosus	ecdysone induced protein 78C	0.0041	0.0464	0.1325
Echinococcus multilocularis	lamin	0.0026	0.0121	0.0344
Brugia malayi	Nuclear hormone receptor-like 1	0.0041	0.0464	0.0464
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0279	0.6243	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0041	0.0464	0.0464
Brugia malayi	Steroid receptor seven-up type 2	0.0041	0.0464	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0464	0.0464
Echinococcus granulosus	jun protein	0.0082	0.1475	0.4208
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0041	0.0464	0.1325
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0041	0.0464	0.0464
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0335	0.0955
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0227	0.4981	0.4981
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0041	0.0464	0.0464
Trypanosoma brucei	Polypeptide deformylase 1	0.0106	0.2061	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0227	0.4981	0.4981
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0335	0.0955
Onchocerca volvulus		0.0065	0.1046	0.0937
Brugia malayi	nuclear hormone receptor	0.0041	0.0464	0.0464
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0041	0.0464	0.1325
Schistosoma mansoni	retinoic acid receptor RXR	0.0041	0.0464	0.1325
Entamoeba histolytica	hypothetical protein	0.0035	0.0335	0.5
Echinococcus multilocularis	musashi	0.0026	0.0121	0.0344
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0041	0.0464	0.1325
Schistosoma mansoni	jun-related protein	0.0067	0.1101	0.3141
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.2061	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0041	0.0464	0.0464
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0041	0.0464	0.1325
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0041	0.0464	0.1325
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.0437	0.1246
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0335	0.0955
Loa Loa (eye worm)	hypothetical protein	0.0031	0.024	0.024
Plasmodium falciparum	peptide deformylase	0.0279	0.6243	0.5
Brugia malayi	nuclear receptor NHR-88	0.0041	0.0464	0.0464
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0041	0.0464	0.0464
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0041	0.0464	0.0464
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0041	0.0464	0.1325
Brugia malayi	hypothetical protein	0.0065	0.1046	0.1046
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0041	0.0464	0.1325
Echinococcus granulosus	intermediate filament protein	0.0026	0.0121	0.0344
Echinococcus multilocularis	lamin dm0	0.0026	0.0121	0.0344
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0041	0.0464	0.1325
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0082	0.1475	0.4208
Schistosoma mansoni	nuclear hormone receptor	0.0041	0.0464	0.1325
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0041	0.0464	0.1325
Onchocerca volvulus		0.0041	0.0464	0.0348
Echinococcus multilocularis	FTZ F1 alpha	0.0041	0.0464	0.1325
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0041	0.0464	0.0464
Toxoplasma gondii	hypothetical protein	0.0279	0.6243	0.5
Echinococcus granulosus	geminin	0.0166	0.3505	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0041	0.0464	0.0464
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0041	0.0464	0.0464
Brugia malayi	intermediate filament protein	0.0026	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0464	0.0464
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0041	0.0464	0.1325
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0109	0.0109
Echinococcus multilocularis	geminin	0.0166	0.3505	1
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.2061	0.5
Schistosoma mansoni	coup transcription factor	0.0041	0.0464	0.1325
Echinococcus granulosus	lamin dm0	0.0026	0.0121	0.0344
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0041	0.0464	0.1325
Echinococcus multilocularis	ecdysone induced protein 78C	0.0041	0.0464	0.1325
Schistosoma mansoni	lamin	0.0026	0.0121	0.0344
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.0299	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0464	0.0464
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0041	0.0464	0.1325
Echinococcus granulosus	FTZ F1 alpha	0.0041	0.0464	0.1325
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0121	0.0121
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0041	0.0464	0.0464
Loa Loa (eye worm)	hypothetical protein	0.008	0.142	0.142

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2 uM	Inhibition of the isolated native E. coli peptide deformylase (PDF)	ChEMBL.	11384231
IC50 (binding)	= 2 uM	Inhibition of the isolated native E. coli peptide deformylase (PDF)	ChEMBL.	11384231
MIC (functional)	= 8 ug ml-1	In vitro antibacterial activity against Moraxella catarrhalis RA21	ChEMBL.	11384231
MIC (functional)	= 32 ug ml-1	In vitro antibacterial activity against Haemophilus influenzae 11	ChEMBL.	11384231
MIC (functional)	= 64 ug ml-1	In vitro antibacterial activity against Escherichia coli	ChEMBL.	11384231
MIC (functional)	= 64 ug ml-1	In vitro antibacterial activity against Escherichia coli	ChEMBL.	11384231

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: CHEMBL300110
PubChem: 10844289

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 80564