TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 354.481 | Formula: C20H34O5
H donors: 1 H acceptors: 3 LogP: 5.27 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCC/C=C/1\CC(OC1=O)[C@@H](OC(=O)CC(C)C)CO
InChi: 1S/C20H34O5/c1-4-5-6-7-8-9-10-11-16-13-17(25-20(16)23)18(14-21)24-19(22)12-15(2)3/h11,15,17-18,21H,4-10,12-14H2,1-3H3/b16-11+/t17?,18-/m0/s1
InChiKey: JRWOBMZCPLANAH-FSKUKKBSSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
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
Echinococcus granulosus	protein kinase C gamma type	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
Brugia malayi	Protein kinase c protein 2	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 brain isozyme	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	serine threonine protein kinase	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	IPR000477,RNA-directed DNA polymerase (Reverse transcriptase),domain-containing	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
Schistosoma mansoni	serine/threonine protein kinase	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
Schistosoma japonicum	Protein kinase C alpha type, putative	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 multilocularis	telomerase reverse transcriptase subunit	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
Echinococcus granulosus	RNA directed DNA polymerase	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
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.001	0.0052	0.0052
Echinococcus granulosus	RNA directed DNA polymerase	0.0048	0.1337	0.1337
Schistosoma mansoni	gliotactin	0.0026	0.0589	0.0589
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0224	0.0224
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0052	0.0052
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0026	0.0589	0.0589
Echinococcus multilocularis	serine:threonine protein kinase N2	0.001	0.0052	0.0052
Loa Loa (eye worm)	carboxylesterase	0.0153	0.4979	0.4979
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0479	0.7981
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0048	0.1337	0.1337
Echinococcus granulosus	para nitrobenzyl esterase	0.0026	0.0589	0.0589
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0661	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1365	0.2665
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0589	0.0589
Echinococcus multilocularis	snurportin 1	0.0299	1	1
Echinococcus multilocularis	carboxylesterase 5A	0.0153	0.4979	0.4979
Schistosoma mansoni	hypothetical protein	0.0015	0.0224	0.0224
Echinococcus granulosus	protein kinase c epsilon type	0.0019	0.0356	0.0356
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0479	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.001	0.0052	0.0052
Schistosoma mansoni	atypical protein kinase C	0.0018	0.0304	0.0304
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0407	0.0407
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0837	0.0837
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0052	0.0141
Schistosoma mansoni	BC026374 protein (S09 family)	0.0026	0.0589	0.0589
Brugia malayi	hypothetical protein	0.0026	0.0589	0.109
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0224	0.0224
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0224	0.0224
Brugia malayi	protein kinase C II.	0.0019	0.0356	0.0617
Schistosoma mansoni	serine/threonine kinase	0.001	0.0052	0.0052
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0407	0.5818
Echinococcus granulosus	neuroligin	0.0026	0.0589	0.0589
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0026	0.0589	0.0589
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0589	0.0589
Echinococcus multilocularis	serine:threonine protein kinase 38	0.001	0.0052	0.0052
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0224	0.035
Onchocerca volvulus		0.0026	0.0589	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0026	0.0589	0.0589
Echinococcus granulosus	protein kinase c iota type	0.0018	0.0304	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0589	0.0589
Schistosoma mansoni	ran	0.0021	0.0407	0.0407
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0026	0.0589	0.0589
Brugia malayi	Carboxylesterase family protein	0.0153	0.4979	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0589	0.0589
Brugia malayi	Carboxylesterase family protein	0.0026	0.0589	0.109
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0661	1
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0052	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1365	0.1365
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0224	0.0224
Schistosoma mansoni	hypothetical protein	0.0033	0.0837	0.0837
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0052	0.0141
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.001	0.0052	0.0052
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0661	1
Onchocerca volvulus		0.0026	0.0589	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0052	0.0052
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0052	0.0052
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.001	0.0052	0.0052
Echinococcus granulosus	acetylcholinesterase	0.0153	0.4979	0.4979
Loa Loa (eye worm)	AGC/NDR protein kinase	0.001	0.0052	0.0052
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.1997	0.1997
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0052	0.0141
Trichomonas vaginalis	ran, putative	0.0021	0.0407	0.6654
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.001	0.0052	0.0052
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0407	0.0407
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1365	0.2665
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0026	0.0589	1
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0052	0.0141
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0407	0.072
Trichomonas vaginalis	spcc417.12 protein, putative	0.0026	0.0589	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0224	0.0224
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0661	0.0661
Entamoeba histolytica	hypothetical protein	0.0023	0.0479	1
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0052	0.0141
Echinococcus multilocularis	RNA directed DNA polymerase	0.0048	0.1337	0.1337
Echinococcus granulosus	GPCR family 2	0.0015	0.0224	0.0224
Echinococcus granulosus	BC026374 protein S09 family	0.0026	0.0589	0.0589
Echinococcus multilocularis	protein kinase c epsilon type	0.0019	0.0356	0.0356
Loa Loa (eye worm)	carboxylesterase	0.0026	0.0589	0.0589
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0019	0.0356	0.0356
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0153	0.4979	0.4979
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0067	0.1997	0.1997
Brugia malayi	Carboxylesterase family protein	0.0026	0.0589	0.109
Plasmodium falciparum	importin beta, putative	0.0028	0.0661	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0407	0.0407
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0026	0.0589	0.0589
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0026	0.0589	0.5
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.001	0.0052	0.0052
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0052	0.0141
Brugia malayi	Carboxylesterase family protein	0.0026	0.0589	0.109
Brugia malayi	Carboxylesterase family protein	0.0153	0.4979	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1365	0.1365
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.001	0.0052	0.0052
Loa Loa (eye worm)	AGC/AKT protein kinase	0.001	0.0052	0.0052
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0052	0.0141
Brugia malayi	Importin beta-1 subunit	0.0028	0.0661	0.1237
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0479	0.7981
Schistosoma mansoni	hypothetical protein	0.0015	0.0224	0.0224
Brugia malayi	Carboxylesterase family protein	0.0026	0.0589	0.109
Schistosoma mansoni	ran	0.0021	0.0407	0.0407
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0661	1
Brugia malayi	RNA, U transporter 1	0.008	0.2441	0.4849
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0837	0.1593
Loa Loa (eye worm)	acetylcholinesterase 1	0.0153	0.4979	0.4979
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0049	0.1397	0.1397
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0026	0.0589	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0661	0.0661
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.001	0.0052	0.0052
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0052	0.0141
Echinococcus granulosus	protein kinase C gamma type	0.0059	0.1745	0.1745
Schistosoma mansoni	hypothetical protein	0.0299	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0224	0.0224
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0052	0.0052
Echinococcus granulosus	acetylcholinesterase	0.0153	0.4979	0.4979
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0589	0.0589
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0407	0.5818
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0026	0.0589	0.0589
Echinococcus multilocularis	neuroligin	0.0026	0.0589	0.0589
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.001	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0589	0.0589
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.001	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0153	0.4979	0.4979
Echinococcus multilocularis	protein kinase c iota type	0.0018	0.0304	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1337	0.1337
Onchocerca volvulus		0.0026	0.0589	1
Entamoeba histolytica	Ran family GTPase	0.0021	0.0407	0.8307
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0052	0.0141
Onchocerca volvulus		0.0026	0.0589	1
Onchocerca volvulus		0.0026	0.0589	1
Echinococcus granulosus	NDR protein kinase	0.001	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0589	0.0589
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0224	0.035
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1589	0.1589
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0299	1	1
Echinococcus multilocularis	serine threonine protein kinase	0.0059	0.1745	0.1745
Schistosoma mansoni	hypothetical protein	0.0015	0.0224	0.0224
Echinococcus granulosus	carboxylesterase 5A	0.0153	0.4979	0.4979
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.1997	0.1997
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0407	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0224	0.0224
Schistosoma mansoni	hypothetical protein	0.0015	0.0224	0.0224
Echinococcus multilocularis	acetylcholinesterase	0.0153	0.4979	0.4979
Schistosoma mansoni	importin beta-1	0.0028	0.0661	0.0661
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0479	0.7981
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0661	0.0661
Loa Loa (eye worm)	carboxylesterase	0.0026	0.0589	0.0589
Mycobacterium ulcerans	carboxylesterase, LipT	0.0026	0.0589	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0356	0.0356
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0026	0.0589	0.5
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0052	0.0141
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0479	1
Brugia malayi	Protein kinase c protein 2	0.0057	0.1649	0.3241
Echinococcus granulosus	Protein kinase C brain isozyme	0.0067	0.1997	0.1997
Schistosoma mansoni	acetylcholinesterase	0.0026	0.0589	0.0589
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.001	0.0052	0.0052
Loa Loa (eye worm)	AGC/PKN protein kinase	0.001	0.0052	0.0052
Echinococcus multilocularis	acetylcholinesterase	0.0153	0.4979	0.4979
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0052	0.0052
Echinococcus multilocularis	para nitrobenzyl esterase	0.0026	0.0589	0.0589
Loa Loa (eye worm)	hypothetical protein	0.0153	0.4979	0.4979
Echinococcus multilocularis	serine:threonine protein kinase N2	0.001	0.0052	0.0052
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0026	0.0589	0.0589

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 579 nM	Affinity for protein kinase C alpha	ChEMBL.	10966739

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: CHEMBL2111705

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 1681479