TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 356.497 | Formula: C20H36O5
H donors: 1 H acceptors: 3 LogP: 5.6 Rotable bonds: 16
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCCCCCCC(=O)OC[C@@H]1CC(=O)O[C@H]1CO
InChi: 1S/C20H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)24-16-17-14-20(23)25-18(17)15-21/h17-18,21H,2-16H2,1H3/t17-,18-/m0/s1
InChiKey: SOJHGWXRSGZBHF-ROUUACIJSA-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
Rattus norvegicus	Protein kinase C alpha	Starlite/ChEMBL	No 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
Brugia malayi	Protein kinase c protein 2	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)	hypothetical protein	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 granulosus	protein kinase C gamma type	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
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
Schistosoma japonicum	Protein kinase C gamma type, putative	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 japonicum	IPR000477,RNA-directed DNA polymerase (Reverse transcriptase),domain-containing	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	RNA directed DNA polymerase	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
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 granulosus	Protein kinase C brain isozyme	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	atypical protein kinase C	Protein kinase C alpha	672 aa	572 aa	36.4 %
Onchocerca volvulus		Protein kinase C alpha	672 aa	647 aa	66.6 %
Echinococcus multilocularis	protein kinase c epsilon type	Protein kinase C alpha	672 aa	661 aa	44.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0397	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1789	0.364
Echinococcus granulosus	protein kinase c iota type	0.0018	0.0183	0.0372
Trypanosoma cruzi	prolyl endopeptidase	0.0128	0.4915	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0922	0.1876
Brugia malayi	hypothetical protein	0.0023	0.0397	0.0808
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0922	0.1876
Plasmodium falciparum	plasmepsin II	0.0059	0.1981	0.5208
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0051	0.1608	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0922	0.1876
Brugia malayi	protein kinase C II.	0.0019	0.0248	0.0505
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0059	0.1981	0.4031
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0023	0.0397	0.0397
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0023	0.0397	0.0397
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0128	0.4915	0.4915
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0013	0	0.5
Plasmodium falciparum	plasmepsin III	0.0023	0.0397	0.1044
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0397	0.0808
Echinococcus multilocularis	RNA directed DNA polymerase	0.0048	0.1475	0.3
Onchocerca volvulus		0.0035	0.0922	0.1876
Brugia malayi	Pepsin A precursor	0.0023	0.0397	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0922	0.1876
Brugia malayi	beta-lactamase family protein	0.0035	0.0922	0.1876
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0128	0.4915	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0023	0.0397	0.0397
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0922	0.1876
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0023	0.0397	0.0397
Schistosoma mansoni	atypical protein kinase C	0.0018	0.0183	0.0183
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0023	0.0397	0.0808
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0114	0.4339	0.4234
Plasmodium falciparum	plasmepsin VI	0.0059	0.1981	0.5208
Brugia malayi	hypothetical protein	0.0023	0.0397	0.0808
Plasmodium falciparum	plasmepsin IV	0.0059	0.1981	0.5208
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0059	0.1981	0.4031
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0023	0.0397	0.0397
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0051	0.1608	0.3271
Brugia malayi	aspartic protease BmAsp-1, identical	0.0023	0.0397	0.0808
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0013	0	0.5
Toxoplasma gondii	aspartyl protease ASP3	0.0102	0.3805	0.774
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0922	0.1876
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0049	0.155	0.3153
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0922	0.1876
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0023	0.0397	0.0397
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0013	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0922	0.1876
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0059	0.1981	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0023	0.0397	0.0397
Brugia malayi	aspartic protease BmAsp-2, identical	0.0023	0.0397	0.0808
Plasmodium vivax	plasmepsin V, putative	0.0023	0.0397	0.1044
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0922	0.1876
Brugia malayi	Protein kinase c protein 2	0.0057	0.1864	0.3792
Onchocerca volvulus		0.0035	0.0922	0.1876
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0051	0.1608	0.3271
Brugia malayi	beta-lactamase	0.0035	0.0922	0.1876
Trypanosoma brucei	oligopeptidase b	0.0051	0.1608	0.3271
Plasmodium falciparum	plasmepsin VIII, putative	0.0023	0.0397	0.1044
Plasmodium vivax	plasmepsin IV, putative	0.0059	0.1981	0.5208
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0922	0.1876
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0051	0.1608	1
Onchocerca volvulus		0.0023	0.0397	0.0808
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0128	0.4915	0.4915
Plasmodium vivax	aspartyl protease, putative	0.0102	0.3805	1
Schistosoma mansoni	memapsin-2 (A01 family)	0.0023	0.0397	0.0397
Echinococcus granulosus	RNA directed DNA polymerase	0.0048	0.1475	0.3
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0922	0.1876
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0922	0.4653
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0922	0.4653
Echinococcus granulosus	protein kinase c epsilon type	0.0019	0.0248	0.0505
Echinococcus granulosus	prolyl endopeptidase	0.0128	0.4915	1
Entamoeba histolytica	hypothetical protein, conserved	0.0013	0	0.5
Echinococcus multilocularis	protein kinase c iota type	0.0018	0.0183	0.0372
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0067	0.2299	0.4677
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.2299	0.2299
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0051	0.1608	0.3271
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0059	0.1981	0.4031
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0922	0.4653
Schistosoma mansoni	cathepsin D (A01 family)	0.0246	1	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1475	0.3
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0051	0.1608	0.3271
Plasmodium falciparum	plasmepsin IX	0.0102	0.3805	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0922	0.4653
Mycobacterium tuberculosis	Probable peptidase	0.0051	0.1608	0.085
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.2299	0.2299
Onchocerca volvulus		0.0035	0.0922	0.1876
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0922	0.1876
Loa Loa (eye worm)	aspartyl protease 6	0.0023	0.0397	0.0808
Trypanosoma cruzi	oligopeptidase b	0.0051	0.1608	0.3271
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0922	0.1876
Plasmodium vivax	aspartyl proteinase, putative	0.0023	0.0397	0.1044
Toxoplasma gondii	aspartyl protease ASP1	0.0059	0.1981	0.4031
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0023	0.0397	0.0808
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0059	0.1981	0.1981
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0248	0.0248
Plasmodium falciparum	plasmepsin VII	0.0023	0.0397	0.1044
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0013	0	0.5
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0019	0.0248	0.0505
Leishmania major	hypothetical protein, conserved	0.0035	0.0922	0.1876
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0922	0.4653
Plasmodium vivax	aspartyl protease, putative	0.0102	0.3805	1
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0128	0.4915	1
Plasmodium vivax	aspartyl protease, putative	0.0023	0.0397	0.1044
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0013	0	0.5
Toxoplasma gondii	aspartyl protease	0.0023	0.0397	0.0808
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0023	0.0397	0.0397
Brugia malayi	prolyl oligopeptidase family protein	0.0128	0.4915	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0922	0.1876
Echinococcus multilocularis	prolyl endopeptidase	0.0128	0.4915	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0222	0.8994	1
Leishmania major	oligopeptidase b	0.0051	0.1608	0.3271
Trypanosoma brucei	prolyl endopeptidase	0.0128	0.4915	1
Echinococcus multilocularis	serine threonine protein kinase	0.0059	0.1985	0.4038
Echinococcus granulosus	protein kinase C gamma type	0.0059	0.1985	0.4038
Toxoplasma gondii	ABC1 family protein	0.0035	0.0922	0.1876
Plasmodium vivax	aspartyl proteinase, putative	0.0059	0.1981	0.5208
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0922	0.1876
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0048	0.1475	0.3
Onchocerca volvulus		0.0023	0.0397	0.0808
Trichomonas vaginalis	esterase, putative	0.0035	0.0922	0.4653
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0922	0.0922
Loa Loa (eye worm)	hypothetical protein	0.0128	0.4915	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1981	0.4031
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0051	0.1608	0.085
Plasmodium falciparum	plasmepsin X	0.0102	0.3805	1
Toxoplasma gondii	prolyl endopeptidase	0.0128	0.4915	1
Plasmodium falciparum	plasmepsin I	0.0059	0.1981	0.5208
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0013	0	0.5
Trypanosoma cruzi	oligopeptidase b	0.0051	0.1608	0.3271
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0922	0.0922
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0013	0	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0922	0.2423
Echinococcus granulosus	Protein kinase C brain isozyme	0.0067	0.2299	0.4677
Plasmodium falciparum	plasmepsin V	0.0023	0.0397	0.1044
Echinococcus multilocularis	protein kinase c epsilon type	0.0019	0.0248	0.0505
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0023	0.0397	0.0808
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0059	0.1981	0.4031
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0051	0.1608	0.3271

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	uM	Inhibition of [3H]-PDBU binding to protein kinase C mixture (No data)	ChEMBL.	No reference
Ki (binding)	0 uM	Inhibition of [3H]-PDBU binding to protein kinase C mixture (No data)	ChEMBL.	No reference
Ki (binding)	= 3.1 uM	Inhibition of [3H]-PDBU binding to Protein kinase C alpha	ChEMBL.	No reference
Ki (binding)	= 3.1 uM	Inhibition of [3H]-PDBU binding to Protein kinase C alpha	ChEMBL.	No reference

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: CHEMBL29762

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 38453