TDR Targets

Basic information

Technical information

TDR Targets ID: 574263
Name: ethyl (1S,2R)-1-(7-ethoxy-3-methyl-7-oxo-hept yl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cycl opentanecarboxylate
MW: 452.624 | Formula: C26H44O6
H donors: 1 H acceptors: 4 LogP: 5.38 Rotable bonds: 18
Rule of 5 violations (Lipinski): 1
SMILES: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@]1(CCC(CCCC(=O)OCC)C)C(=O)OCC)O
InChi: 1S/C26H44O6/c1-5-8-9-12-22(27)16-14-21-15-17-23(28)26(21,25(30)32-7-3)19-18-20(4)11-10-13-24(29)31-6-2/h14,16,20-22,27H,5-13,15,17-19H2,1-4H3/b16-14+/t20?,21-,22-,26-/m0/s1
InChiKey: NNOAMVFGASMLSC-UOKZJOJUSA-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

(1S,2R)-1-(7-ethoxy-3-methyl-7-oxoheptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentanecarboxylic acid ethyl ester
ethyl (1S,2R)-1-(7-ethoxy-3-methyl-7-oxo-heptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentane-1-carboxylate
(1S,2R)-1-(7-ethoxy-7-keto-3-methyl-heptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-keto-cyclopentanecarboxylic acid ethyl ester
ethyl (1S,2R)-1-(7-ethoxy-3-methyl-7-oxoheptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentane-1-carboxylate
HR 546
(1S,2R)-1-(7-ethoxy-3-methyl-7-oxoheptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopentanecarboxylic acid ethyl ester
(1S,2R)-1-(7-ethoxy-7-keto-3-methyl-heptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-keto-cyclopentane-1-carboxylic acid ethyl ester
62151-21-7
HR-546
(13E,15S)-1-Ethoxy-15-hydroxy-5-methyl-1,9-dioxoprost-13-ene-8-carboxylic acid, ethyl ester
8-Ethoxycarbonyl-10,11-dihydro-A-prostaglandin
8-Ethoxycarbonyl-10,11-dihydro-pga

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
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0058	0.6725	0.8367
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0305	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.5099	0.5346
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.0894	0.0667
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.1276	0.1329
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0058	0.6725	0.8839
Schistosoma mansoni	bromodomain containing protein	0.0067	0.8037	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.1214	0.1257
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0063	0.7437	0.9766
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.1214	0.1257
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.1276	0.1329
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0294	0.0366
Trypanosoma brucei	ISWI complex protein	0.0016	0	0.5
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0064	0.7608	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.1276	0.1329
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.5099	0.6345
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.1276	0.1677
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0055	0.6099	0.6458
Toxoplasma gondii	aldehyde dehydrogenase	0.0064	0.7608	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.5099	0.657
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.7608	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.0294	0.0366
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0058	0.6725	0.8792
Onchocerca volvulus		0.0024	0.1276	0.5
Loa Loa (eye worm)	bromodomain containing protein	0.0019	0.0397	0.0114
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.1276	0.1677
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.3456	0.4323
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.7608	0.9466
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.7608	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.0294	0.0366
Echinococcus granulosus	zinc finger protein	0.0021	0.0717	0.0578
Echinococcus multilocularis	zinc finger protein	0.0021	0.0717	0.0578
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.1276	0.1329
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0305	0.0013
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0058	0.6725	0.6246
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0058	0.6725	0.8792
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0063	0.7437	0.9766
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0305	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.1276	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0305	0.0013
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.1276	0.5
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.1276	0.1329
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.5099	0.657
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.1276	0.1329
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1276	0.1092
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0064	0.7608	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.4581	0.4769
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0064	0.7608	1
Brugia malayi	Bromodomain containing protein	0.004	0.3853	0.2954
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0058	0.6725	0.8815
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.5099	0.6345
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0294	0.0366
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.5099	0.6345
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0305	0.021
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.1214	0.151
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.1276	0.1677
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.5099	0.657
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.7608	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.1276	0.1329
Loa Loa (eye worm)	hypothetical protein	0.0043	0.4261	0.4413
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.7608	0.9466
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1276	0.1092
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0064	0.7608	1
Schistosoma mansoni	zinc finger protein	0.0021	0.0717	0.0891
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0305	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1276	0.1092
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0305	0.0013
Trypanosoma cruzi	ISWI complex protein	0.0016	0	0.5
Schistosoma mansoni	hypothetical protein	0.0022	0.0894	0.1112
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.5099	0.657
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.1276	0.1511
Trypanosoma cruzi	ISWI complex protein	0.0016	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0075	0.9283	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.3456	0.4323
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.1276	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.6725	0.879
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.1276	0.1511
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0305	0.0013
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.1276	0.1329
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.1276	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.3864	0.3972
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.1276	0.5
Brugia malayi	PHD-finger family protein	0.0026	0.161	0.0383
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.5099	0.4383
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.6725	0.879
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0305	0.5

Activities

No activities found for this compound.

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

Search by CAS
PubChem: 6443820

Bibliographic References

No literature references available for this target.

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Detailed information for compound 574263