TDR Targets

Basic information

Technical information

TDR Targets ID: 409307
Name: N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo [7]annulen-2-yl)-1,3-oxazolidin-5-yl]methyl]a cetamide
MW: 302.368 | Formula: C17H22N2O3
H donors: 1 H acceptors: 2 LogP: 2.76 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc2c(c1)CCCCC2
InChi: 1S/C17H22N2O3/c1-12(20)18-10-16-11-19(17(21)22-16)15-8-7-13-5-3-2-4-6-14(13)9-15/h7-9,16H,2-6,10-11H2,1H3,(H,18,20)/t16-/m0/s1
InChiKey: NHYPRKJYWPQIEZ-INIZCTEOSA-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-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)oxazolidin-5-yl]methyl]acetamide
N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-5-oxazolidinyl]methyl]acetamide
N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,3-oxazolidin-5-yl]methyl]ethanamide
N-[[(5S)-2-keto-3-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)oxazolidin-5-yl]methyl]acetamide
N-[[(5S)-2-keto-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)oxazolidin-5-yl]methyl]acetamide

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
Mycobacterium ulcerans	acyl-CoA synthetase	0.008	0.0544	0.3568
Echinococcus multilocularis	lamin	0.0031	0.0097	0.0067
Entamoeba histolytica	hypothetical protein	0.0041	0.019	0.1981
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0037	0.0156	0.0126
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0037	0.0156	0.0126
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0023	0.003	0.0202
Echinococcus granulosus	sterol regulatory element binding protein	0.0048	0.0256	0.0226
Echinococcus granulosus	expressed conserved protein	0.0105	0.0778	0.0751
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0048	0.0256	0.0226
Leishmania major	4-coumarate:coa ligase-like protein	0.008	0.0544	0.0516
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0037	0.0156	0.0126
Schistosoma mansoni	hypothetical protein	0.0046	0.024	0.0211
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.0414	0.3603	0.3584
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0097	0.0067
Echinococcus multilocularis	musashi	0.0031	0.0097	0.0067
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.019	0.0161
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.017	0.0141
Echinococcus granulosus	lamin dm0	0.0031	0.0097	0.0067
Toxoplasma gondii	Erv1 / Alr family protein	0.0037	0.0156	0.0126
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0048	0.0258	0.0229
Brugia malayi	CHE-14 protein	0.0048	0.0256	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0039	0.017	0.0141
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0343	0.2958	0.2937
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0048	0.0258	0.0229
Schistosoma mansoni	hypothetical protein	0.0035	0.0137	0.0108
Schistosoma mansoni	lamin	0.0031	0.0097	0.0067
Schistosoma mansoni	hypothetical protein	0.0046	0.024	0.0211
Echinococcus multilocularis	Niemann Pick C1 protein	0.0112	0.084	0.0813
Schistosoma mansoni	patched 1	0.0048	0.0256	0.0226
Schistosoma mansoni	hypothetical protein	0.0046	0.024	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0354	0.0326
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0162	0.1303	0.1277
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0137	0.0108
Onchocerca volvulus		0.0031	0.0097	0.1299
Onchocerca volvulus	Cell death protein 3 homolog	0.0035	0.0137	0.2095
Brugia malayi	AMP-binding enzyme family protein	0.008	0.0544	0.0516
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.008	0.0544	0.3568
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0343	0.2958	0.2937
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0056	0.033	0.2245
Mycobacterium ulcerans	hypothetical protein	0.008	0.0544	0.3568
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0059	0.036	0.2291
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0343	0.2958	0.2937
Echinococcus multilocularis	expressed conserved protein	0.0105	0.0778	0.0751
Brugia malayi	Cell death protein 3 precursor	0.0035	0.0137	0.0108
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.003	0.0202
Entamoeba histolytica	acyl-CoA synthetase, putative	0.008	0.0544	0.6344
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0137	0.0108
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0162	0.1303	0.1277
Echinococcus granulosus	Protein patched homolog 1	0.0048	0.0256	0.0226
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0037	0.0156	0.0126
Leishmania major	4-coumarate:coa ligase-like protein	0.008	0.0544	0.0516
Loa Loa (eye worm)	hypothetical protein	0.0059	0.036	0.0331
Plasmodium falciparum	acyl-CoA synthetase	0.0059	0.036	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0091	0.0062
Leishmania major	4-coumarate:coa ligase-like protein	0.008	0.0544	0.0516
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0023	0.003	0.0202
Echinococcus granulosus	Niemann Pick C1 protein	0.016	0.128	0.1254
Echinococcus granulosus	caspase 2	0.0035	0.0137	0.0108
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0037	0.0156	0.0126
Leishmania major	mitochondrial DNA polymerase beta	0.0343	0.2958	0.2937
Loa Loa (eye worm)	hypothetical protein	0.0059	0.036	0.0331
Onchocerca volvulus		0.008	0.0544	1
Onchocerca volvulus		0.0035	0.0137	0.2095
Schistosoma mansoni	fructose-16-bisphosphatase-related	0.1113	1	1
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0097	0.0067
Trypanosoma brucei	sedoheptulose-1,7-bisphosphatase	0.0414	0.3603	0.3584
Loa Loa (eye worm)	hypothetical protein	0.008	0.0544	0.0516
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.0335	0.0306
Brugia malayi	intermediate filament protein	0.0031	0.0097	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0256	0.0226
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0922	0.8252	0.8247
Entamoeba histolytica	hypothetical protein	0.0041	0.019	0.1981
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0181	0.1471	1
Echinococcus multilocularis	caspase 2	0.0035	0.0137	0.0108
Entamoeba histolytica	acyl-coA synthetase, putative	0.008	0.0544	0.6344
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0056	0.033	0.2245
Loa Loa (eye worm)	hypothetical protein	0.0059	0.036	0.0331
Mycobacterium ulcerans	acyl-CoA synthetase	0.008	0.0544	0.3568
Toxoplasma gondii	Erv1 / Alr family protein	0.0037	0.0156	0.0126
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0037	0.0156	0.0126
Schistosoma mansoni	hypothetical protein	0.0028	0.007	0.004
Brugia malayi	Niemann-Pick C1 protein precursor	0.0112	0.084	0.0813
Echinococcus granulosus	fructose 16 bisphosphatase 1	0.1113	1	1
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.003	0.0202
Mycobacterium ulcerans	hypothetical protein	0.0181	0.1471	1
Entamoeba histolytica	hypothetical protein	0.0041	0.019	0.1981
Brugia malayi	AMP-binding enzyme family protein	0.008	0.0544	0.0516
Loa Loa (eye worm)	hypothetical protein	0.0059	0.036	0.0331
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0037	0.0156	0.381
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.0414	0.3603	0.3584
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.003	0.0202
Toxoplasma gondii	hypothetical protein	0.0055	0.0323	0.0294
Leishmania major	hypothetical protein, conserved	0.0037	0.0156	0.0126
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0023	0.003	0.0202
Echinococcus granulosus	apoptotic protease activating factor 1	0.0035	0.0137	0.0108
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0035	0.0137	0.0108
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0097	0.0067
Schistosoma mansoni	hypothetical protein	0.0046	0.024	0.0211
Echinococcus multilocularis	Niemann Pick C1 protein	0.016	0.128	0.1254
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0056	0.033	0.2245
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0112	0.084	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.008	0.0544	0.3568
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0048	0.0258	0.0229
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0114	0.0856	0.0829
Brugia malayi	Augmenter of liver regeneration	0.0037	0.0156	0.0126
Loa Loa (eye worm)	fructose-1,6-bisphosphatase	0.1113	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.0335	0.0306
Plasmodium vivax	acyl-CoA synthetase, putative	0.0059	0.036	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.0544	0.0516
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0037	0.0156	0.381
Echinococcus multilocularis	protein dispatched 1	0.0055	0.0318	0.0289
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0059	0.036	0.2447
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.008	0.0544	0.3568
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0023	0.003	0.0202
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.008	0.0544	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.008	0.0544	0.3568
Toxoplasma gondii	fructose-bisphospatase II	0.1113	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.019	0.0161
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0023	0.003	0.0202
Onchocerca volvulus		0.0031	0.0097	0.1299
Loa Loa (eye worm)	hepatopoietin HPO2	0.0037	0.0156	0.0126
Toxoplasma gondii	fructose-bisphospatase I	0.0414	0.3603	0.3584
Schistosoma mansoni	caspase-7 (C14 family)	0.0035	0.0137	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0059	0.036	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0097	0.0067
Echinococcus multilocularis	protein patched	0.0048	0.0256	0.0226
Schistosoma mansoni	hypothetical protein	0.0041	0.019	0.0161
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0023	0.003	0.0202
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0059	0.036	0.5
Trypanosoma brucei	fructose-1,6-bisphosphatase	0.1113	1	1
Leishmania major		0.1113	1	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.008	0.0544	0.3698
Echinococcus multilocularis	lamin dm0	0.0031	0.0097	0.0067
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.019	0.0161
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.1113	1	1
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0023	0.003	0.0202
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0048	0.0258	0.0229
Echinococcus multilocularis	sterol regulatory element binding protein	0.0048	0.0256	0.0226
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.1113	1	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0059	0.0354	0.0326
Brugia malayi	hypothetical protein	0.0035	0.0137	0.0108
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.0335	0.0306
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.008	0.0544	0.3568
Loa Loa (eye worm)	hypothetical protein	0.008	0.0544	0.0516
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0335	0.0306
Echinococcus granulosus	lamin	0.0031	0.0097	0.0067
Entamoeba histolytica	hypothetical protein	0.0041	0.019	0.1981
Schistosoma mansoni	lamin	0.0031	0.0097	0.0067
Schistosoma mansoni	hypothetical protein	0.0039	0.017	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0112	0.084	0.0813
Echinococcus granulosus	intermediate filament protein	0.0031	0.0097	0.0067
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0097	0.0067
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	0.1113	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0256	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.003	0.0202
Echinococcus granulosus	Niemann Pick C1 protein	0.0112	0.084	0.0813
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.008	0.0544	0.3698
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0056	0.033	0.2245
Toxoplasma gondii	sedoheptulose-1,7-bisphosphatase	0.0414	0.3603	0.3584
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0162	0.1303	0.1277
Brugia malayi	hypothetical protein	0.0041	0.019	0.0161
Entamoeba histolytica	acyl-CoA synthetase, putative	0.008	0.0544	0.6344
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.008	0.0544	1
Brugia malayi	AMP-binding enzyme family protein	0.008	0.0544	0.0516

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 8 uM	Antibacterial activity against Escherichia coli by transcription and translation assay	ChEMBL.	16901693
IC50 (functional)	= 8 uM	Antibacterial activity against Escherichia coli by transcription and translation assay	ChEMBL.	16901693
MIC (functional)	= 2 ug ml-1	Antibacterial activity against Streptococcus pyogenes C-203	ChEMBL.	16901693
MIC (functional)	= 8 ug ml-1	Antibacterial activity against Streptococcus pneumoniae SVI SP-3	ChEMBL.	16901693
MIC (functional)	= 64 ug ml-1	Antibacterial activity against Staphylococcus aureus UC-76 SA-1	ChEMBL.	16901693
MIC (functional)	> 64 ug ml-1	Antibacterial activity against Enterococcus faecalis MGH-2 EF1-1	ChEMBL.	16901693

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Escherichia coli	ChEMBL23	16901693

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: CHEMBL216088
PubChem: 10086276

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 409307