TDR Targets

Basic information

Technical information

TDR Targets ID: 413862
Name: [2-(hydroxymethyl)-5-oxo-4-propan-2-ylideneox olan-2-yl]methyl decanoate
MW: 340.454 | Formula: C19H32O5
H donors: 1 H acceptors: 3 LogP: 4.77 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCCC(=O)OCC1(CO)OC(=O)C(=C(C)C)C1
InChi: 1S/C19H32O5/c1-4-5-6-7-8-9-10-11-17(21)23-14-19(13-20)12-16(15(2)3)18(22)24-19/h20H,4-14H2,1-3H3
InChiKey: LHXHKCYATOMPHG-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-(hydroxymethyl)-4-isopropylidene-5-oxo-tetrahydrofuran-2-yl]methyl decanoate
decanoic acid [2-(hydroxymethyl)-4-isopropylidene-5-oxo-2-tetrahydrofuranyl]methyl ester
[2-(hydroxymethyl)-5-oxo-4-propan-2-ylidene-oxolan-2-yl]methyl decanoate
capric acid (4-isopropylidene-5-keto-2-methylol-tetrahydrofuran-2-yl)methyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	protein kinase C, alpha	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	RNA directed DNA polymerase	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus granulosus	RNA directed DNA polymerase	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	Calcium-dependent protein kinase C, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	Protein kinase C gamma type, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	IPR000477,RNA-directed DNA polymerase (Reverse transcriptase),domain-containing	Get druggable targets OG5_129482	All targets in OG5_129482
Candida albicans	protein kinase C similar to S. cerevisiae PKC1 (YBL105C)	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	Get druggable targets OG5_129482	All targets in OG5_129482
Candida albicans	protein kinase C similar to S. cerevisiae PKC1 (YBL105C)	Get druggable targets OG5_129482	All targets in OG5_129482
Brugia malayi	Protein kinase c protein 2	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus granulosus	protein kinase C gamma type	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	Protein kinase C alpha type, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus multilocularis	serine threonine protein kinase	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus multilocularis	telomerase reverse transcriptase subunit	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus multilocularis	Protein kinase C, brain isozyme	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus granulosus	Protein kinase C brain isozyme	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	Protein kinase C alpha type, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129482	All targets in OG5_129482

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	Protein ultraspiracle homolog	0.0033	0.3345	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0033	0.3345	0.3345
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0033	0.3345	0.3345
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0033	0.3345	0.4345
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0358	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0358	0.0465
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0033	0.3345	0.4163
Loa Loa (eye worm)	hypothetical protein	0.0033	0.3345	0.4345
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0033	0.3345	0.4345
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0358	0.0465
Echinococcus granulosus	protein kinase c epsilon type	0.0019	0.0737	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0358	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0033	0.3345	0.4345
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0033	0.3345	0.4163
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0017	0.0358	0.0465
Schistosoma mansoni	serine/threonine protein kinase	0.0067	1	1
Brugia malayi	ecdysteroid receptor	0.0033	0.3345	0.4163
Echinococcus granulosus	RNA directed DNA polymerase	0.0048	0.6277	0.6277
Schistosoma mansoni	retinoic acid receptor RXR	0.0033	0.3345	0.3345
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0033	0.3345	0.4163
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0048	0.6277	0.6277
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0017	0.0358	0.0358
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0033	0.3345	0.4163
Onchocerca volvulus		0.0033	0.3345	1
Brugia malayi	nuclear hormone receptor	0.0033	0.3345	0.4163
Loa Loa (eye worm)	hypothetical protein	0.0033	0.3345	0.4345
Brugia malayi	Nuclear hormone receptor-like 1	0.0033	0.3345	0.4163
Schistosoma mansoni	coup transcription factor	0.0033	0.3345	0.3345
Schistosoma mansoni	atypical protein kinase C	0.0018	0.0442	0.0442
Brugia malayi	hypothetical protein	0.0017	0.0358	0.0446
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0033	0.3345	0.3345
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0033	0.3345	0.4345
Loa Loa (eye worm)	hypothetical protein	0.0048	0.6277	0.8155
Onchocerca volvulus	Bile acid receptor homolog	0.0033	0.3345	1
Brugia malayi	Steroid receptor seven-up type 2	0.0033	0.3345	0.4163
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0033	0.3345	0.3345
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0358	0.0465
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0033	0.3345	0.3345
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0033	0.3345	0.3345
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0033	0.3345	0.3345
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0033	0.3345	0.3345
Echinococcus multilocularis	FTZ F1 alpha	0.0033	0.3345	0.3345
Echinococcus multilocularis	serine threonine protein kinase	0.0059	0.858	0.858
Loa Loa (eye worm)	steroid hormone receptor	0.0033	0.3345	0.4345
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0033	0.3345	0.3345
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0033	0.3345	0.4163
Schistosoma mansoni	RAR-like nuclear receptor	0.0033	0.3345	0.3345
Loa Loa (eye worm)	hypothetical protein	0.0033	0.3345	0.4345
Echinococcus multilocularis	RNA directed DNA polymerase	0.0048	0.6277	0.6277
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0017	0.0358	0.0358
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0033	0.3345	0.3345
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0033	0.3345	0.3345
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0033	0.3345	0.3345
Brugia malayi	protein kinase C II.	0.0019	0.0737	0.0917
Brugia malayi	nuclear receptor RXR	0.0017	0.0358	0.0446
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0033	0.3345	0.3345
Loa Loa (eye worm)	hypothetical protein	0.0033	0.3345	0.4345
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0033	0.3345	0.4345
Schistosoma mansoni	thyroid hormone receptor	0.0033	0.3345	0.3345
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0033	0.3345	0.4163
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0049	0.6615	0.8595
Loa Loa (eye worm)	hypothetical protein	0.0033	0.3345	0.4345
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0033	0.3345	0.3345
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0033	0.3345	0.4345
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0033	0.3345	0.4163
Loa Loa (eye worm)	hypothetical protein	0.0033	0.3345	0.4345
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0033	0.3345	0.4345
Echinococcus multilocularis	protein kinase c epsilon type	0.0019	0.0737	0.0737
Echinococcus granulosus	FTZ F1 alpha	0.0033	0.3345	0.3345
Brugia malayi	hypothetical protein	0.0017	0.0358	0.0446
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0358	0.0446
Loa Loa (eye worm)	hypothetical protein	0.0055	0.7697	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0033	0.3345	0.3345
Schistosoma mansoni	nuclear hormone receptor	0.0033	0.3345	0.3345
Brugia malayi	Protein kinase c protein 2	0.0057	0.8035	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0358	0.0446
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0033	0.3345	0.4345
Echinococcus granulosus	protein kinase C gamma type	0.0059	0.858	0.858
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0017	0.0358	0.0358
Brugia malayi	photoreceptor-specific nuclear receptor	0.0033	0.3345	0.4163
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0033	0.3345	0.3345
Echinococcus granulosus	protein kinase c iota type	0.0018	0.0442	0.0442
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0033	0.3345	0.4163
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0033	0.3345	0.4163
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0033	0.3345	0.4163
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0033	0.3345	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0017	0.0358	0.0358
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0033	0.3345	0.4163
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0033	0.3345	0.3345
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0067	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0737	0.0737
Echinococcus multilocularis	protein kinase c iota type	0.0018	0.0442	0.0442
Brugia malayi	steroid hormone receptor	0.0033	0.3345	0.4163
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0033	0.3345	0.4163
Brugia malayi	nuclear receptor NHR-88	0.0033	0.3345	0.4163
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0033	0.3345	0.3345
Schistosoma mansoni	thyroid hormone receptor	0.0033	0.3345	0.3345
Echinococcus granulosus	ecdysone induced protein 78C	0.0033	0.3345	0.3345
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0033	0.3345	0.3345
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0033	0.3345	0.3345
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0019	0.0737	0.0957
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0033	0.3345	0.3345
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0033	0.3345	0.3345
Schistosoma mansoni	serine/threonine protein kinase	0.0067	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.3345	0.4345
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0033	0.3345	0.4163

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Induction of attachment of U937 cells after 48 hrs	ChEMBL.	17284021
Activity (functional)	0	Translocation of PKCalpha from cytosol to membrane in CHO cells	ChEMBL.	17284021
Activity (functional)	0	Translocation of PKCdelta from cytosol to membrane in CHO cells	ChEMBL.	17284021
Activity (functional)	= 25 %	Induction of IL6 secretion in WEHI231 cells at 30 uM after 24 hrs relative to 10 uM PMA	ChEMBL.	17284021
Activity (functional)	= 80 %	Induction of IL6 secretion in WEHI231 cells at 30 uM after 6 hrs relative to 10 uM PMA	ChEMBL.	17284021
EC50 (functional)	= 3 uM	Stimulation of ERK phosphorylation in LNCaP cells after 30 min	ChEMBL.	17284021
Ki (binding)	= 15.9 nM	Displacement of [3H]PDBu from PKCalpha	ChEMBL.	17284021
Ki (binding)	= 15.9 nM	Displacement of [3H]PDBu from PKCalpha	ChEMBL.	17284021

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: CHEMBL413585
PubChem: 16110378

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 413862