TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 368.508 | Formula: C21H36O5
H donors: 1 H acceptors: 3 LogP: 5.97 Rotable bonds: 15
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCCCCCC/C=C\1/C(=O)OCC1(O)COC(=O)C
InChi: 1S/C21H36O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(23)26-17-21(19,24)16-25-18(2)22/h15,24H,3-14,16-17H2,1-2H3/b19-15-
InChiKey: QPFLDCDVYVXFIK-CYVLTUHYSA-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

No synonyms found for this compound

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 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
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
Echinococcus multilocularis	Protein kinase C, brain isozyme	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
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	RNA directed DNA polymerase	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
Brugia malayi	Protein kinase c protein 2	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
Schistosoma japonicum	Protein kinase C alpha 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
Schistosoma japonicum	Protein kinase C alpha type, putative	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
Echinococcus granulosus	protein kinase C gamma type	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
Echinococcus multilocularis	telomerase reverse transcriptase subunit	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
Schistosoma mansoni	serine/threonine kinase	0.001	0.0378	0.0473
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0072	0.8644	0.8644
Echinococcus granulosus	protein kinase C gamma type	0.0059	0.7009	0.7009
Echinococcus multilocularis	unc 13 (munc13)	0.0009	0.0175	0.0175
Echinococcus granulosus	Protein kinase C brain isozyme	0.0067	0.7994	0.7994
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0082	1	1
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0048	0.5411	0.5411
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0378	0.0473
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0378	1
Brugia malayi	Protein kinase c protein 2	0.0057	0.6631	0.6631
Echinococcus granulosus	NDR protein kinase	0.001	0.0378	0.0378
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0014	0.0887	0.1109
Brugia malayi	Uncoordinated protein 44	0.0014	0.0871	0.0871
Loa Loa (eye worm)	AGC/PKN protein kinase	0.001	0.0378	0.039
Brugia malayi	Hr1 repeat family protein	0.001	0.0378	0.0378
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.7994	1
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0014	0.0871	0.0871
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0378	1
Echinococcus granulosus	death domain containing protein	0.0014	0.0871	0.0871
Echinococcus granulosus	jun protein	0.0082	1	1
Echinococcus granulosus	protein kinase c epsilon type	0.0019	0.1568	0.1568
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.001	0.0378	0.0378
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.3704	0.3704
Toxoplasma gondii	AGC kinase	0.001	0.0378	0.5
Schistosoma mansoni	atypical protein kinase C	0.0018	0.1363	0.1705
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0009	0.0175	0.0175
Schistosoma mansoni	hypothetical protein	0.0014	0.0871	0.1089
Schistosoma mansoni	hypothetical protein	0.0066	0.7936	0.9928
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.3704	0.3704
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0378	1
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0901	0.0901
Echinococcus granulosus	serine:threonine protein kinase N2	0.001	0.0378	0.0378
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.7994	1
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.001	0.0378	0.0378
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0378	0.0473
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0014	0.0871	0.0871
Echinococcus multilocularis	serine threonine protein kinase	0.0059	0.7009	0.7009
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0082	1	1
Schistosoma mansoni	netrin receptor unc5	0.0014	0.0871	0.1089
Echinococcus multilocularis	serine:threonine protein kinase N2	0.001	0.0378	0.0378
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.001	0.0378	0.0378
Echinococcus multilocularis	netrin receptor unc 5	0.0014	0.0871	0.0871
Entamoeba histolytica	hypothetical protein	0.0035	0.3704	1
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.001	0.0378	0.039
Schistosoma mansoni	jun-related protein	0.0066	0.7936	0.9928
Entamoeba histolytica	hypothetical protein	0.0035	0.3704	1
Echinococcus multilocularis	serine:threonine protein kinase 38	0.001	0.0378	0.0378
Brugia malayi	Protein kinase domain containing protein	0.001	0.0378	0.0378
Schistosoma mansoni	unc-13 (munc13)	0.0009	0.0175	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0887	0.0914
Brugia malayi	Protein kinase domain containing protein	0.001	0.0378	0.0378
Schistosoma mansoni	ankyrin 23/unc44	0.0014	0.0871	0.1089
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0067	0.7994	0.7994
Echinococcus granulosus	Ankyrin	0.0014	0.0887	0.0887
Entamoeba histolytica	hypothetical protein	0.0035	0.3704	1
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0072	0.8644	0.8644
Echinococcus multilocularis	jun protein	0.0082	1	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.6396	0.6596
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0378	1
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0378	1
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0378	1
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0009	0.0175	0.0175
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.3704	0.4633
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0378	1
Echinococcus granulosus	RNA directed DNA polymerase	0.0048	0.5411	0.5411
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0378	0.0473
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.001	0.0378	0.0378
Echinococcus multilocularis	protein kinase c iota type	0.0018	0.1363	0.1363
Loa Loa (eye worm)	AGC/NDR protein kinase	0.001	0.0378	0.039
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.001	0.0378	0.039
Echinococcus multilocularis	RNA directed DNA polymerase	0.0048	0.5411	0.5411
Trypanosoma brucei	rac serine-threonine kinase, putative	0.001	0.0378	0.5
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.001	0.0378	0.039
Echinococcus multilocularis	Ankyrin	0.0014	0.0887	0.0887
Brugia malayi	hypothetical protein	0.0064	0.7635	0.7635
Loa Loa (eye worm)	hypothetical protein	0.0079	0.9698	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.5411	0.558
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0049	0.5646	0.5822
Echinococcus granulosus	protein kinase c iota type	0.0018	0.1363	0.1363
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0378	1
Schistosoma mansoni	unc-13 (munc13)	0.0009	0.0175	0.0218
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0014	0.0871	0.0871
Brugia malayi	Death domain containing protein	0.0014	0.0871	0.0871
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0378	1
Brugia malayi	Protein kinase domain containing protein	0.001	0.0378	0.0378
Entamoeba histolytica	hypothetical protein	0.0035	0.3704	1
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0019	0.1568	0.1617
Onchocerca volvulus	Netrin receptor homolog	0.0014	0.0871	0.0933
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.001	0.0378	0.0378
Echinococcus multilocularis	protein kinase c epsilon type	0.0019	0.1568	0.1568
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.1568	0.1961
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.001	0.0378	0.039
Onchocerca volvulus		0.0064	0.7635	1
Echinococcus granulosus	unc 13 munc13	0.0009	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0175	0.018
Loa Loa (eye worm)	AGC/AKT protein kinase	0.001	0.0378	0.039
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0378	1
Schistosoma mansoni	hypothetical protein	0.0035	0.3704	0.4633
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0378	0.0473
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0014	0.0871	0.0898
Brugia malayi	p70 ribosomal S6 kinase beta	0.001	0.0378	0.0378
Echinococcus multilocularis	serine:threonine protein kinase N2	0.001	0.0378	0.0378
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0378	1
Echinococcus granulosus	netrin receptor unc 5	0.0014	0.0871	0.0871
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.001	0.0378	0.0378
Loa Loa (eye worm)	hypothetical protein	0.001	0.0378	0.039
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0871	0.0898
Schistosoma mansoni	protein kinase C	0.0009	0.0175	0.0218
Brugia malayi	hypothetical protein	0.0035	0.3704	0.3704
Brugia malayi	protein kinase C II.	0.0019	0.1568	0.1568

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 6500 nM	Displacement of [H-20]phorbol12,13-dibutyrate (PDBU) from Protein kinase C alpha	ChEMBL.	8568806
Ki (binding)	= 6500 nM	Displacement of [H-20]phorbol12,13-dibutyrate (PDBU) from Protein kinase C alpha	ChEMBL.	8568806

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 157044