TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 303.399 | Formula: C17H25N3O2
H donors: 3 H acceptors: 2 LogP: 2.08 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1NC(=O)[C@H](C(C)C)N(c2c3C(C1)CNc3ccc2)C
InChi: 1S/C17H25N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,10-12,16,18,21H,7-9H2,1-3H3,(H,19,22)/t11?,12-,16-/m0/s1
InChiKey: JWVXPOMGWPAEAJ-GAKQDWLJSA-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, delta	Starlite/ChEMBL	No references
Homo sapiens	protein kinase C, gamma		No references
Rattus norvegicus	Protein kinase C gamma	Starlite/ChEMBL	No references
Homo sapiens	protein kinase C, theta		No references
Homo sapiens	protein kinase C, eta		No references
Homo sapiens	protein kinase C, alpha		No references
Homo sapiens	protein kinase D1		No references
Mus musculus	protein kinase C, eta	Starlite/ChEMBL	No references
Homo sapiens	protein kinase C, beta		No references
Homo sapiens	protein kinase C, epsilon		No references
Homo sapiens	protein kinase D3		No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K06070 protein kinase D, putative	Get druggable targets OG5_130080	All targets in OG5_130080
Candida albicans	protein kinase C similar to S. cerevisiae PKC1 (YBL105C)	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130080	All targets in OG5_130080
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132502	All targets in OG5_132502
Loa Loa (eye worm)	CAMK/PKD protein kinase	Get druggable targets OG5_130080	All targets in OG5_130080
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_130080	All targets in OG5_130080
Echinococcus multilocularis	telomerase reverse transcriptase subunit	Get druggable targets OG5_129482	All targets in OG5_129482
Brugia malayi	Phorbol esters/diacylglycerol binding domain	Get druggable targets OG5_130080	All targets in OG5_130080
Echinococcus granulosus	RNA directed DNA polymerase	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	CAMK/PKD protein kinase	Get druggable targets OG5_130080	All targets in OG5_130080
Schistosoma japonicum	Protein kinase C alpha type, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Onchocerca volvulus		Get druggable targets OG5_132502	All targets in OG5_132502
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_130080	All targets in OG5_130080
Echinococcus multilocularis	protein kinase c epsilon type	Get druggable targets OG5_129314	All targets in OG5_129314
Schistosoma japonicum	Calcium-dependent protein kinase C, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	Protein kinase C epsilon type, putative	Get druggable targets OG5_129314	All targets in OG5_129314
Echinococcus granulosus	serine:threonine protein kinase N2	Get druggable targets OG5_129314	All targets in OG5_129314
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129314	All targets in OG5_129314
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
Schistosoma japonicum	ko:K06070 protein kinase D, putative	Get druggable targets OG5_130080	All targets in OG5_130080
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132502	All targets in OG5_132502
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_130080	All targets in OG5_130080
Echinococcus multilocularis	RNA directed DNA polymerase	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132502	All targets in OG5_132502
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132502	All targets in OG5_132502
Brugia malayi	protein kinase C II.	Get druggable targets OG5_129314	All targets in OG5_129314
Onchocerca volvulus		Get druggable targets OG5_130080	All targets in OG5_130080
Echinococcus multilocularis	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
Loa Loa (eye worm)	hypothetical protein	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	ko:K06068 novel protein kinase C, putative	Get druggable targets OG5_129314	All targets in OG5_129314
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132502	All targets in OG5_132502
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	Get druggable targets OG5_129314	All targets in OG5_129314
Brugia malayi	C1-like domain containing protein	Get druggable targets OG5_130080	All targets in OG5_130080
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)	AGC/PKC/ALPHA 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 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
Entamoeba histolytica	PH domain containing protein kinase, putative	Get druggable targets OG5_129314	All targets in OG5_129314
Schistosoma japonicum	expressed protein	Get druggable targets OG5_130080	All targets in OG5_130080
Echinococcus granulosus	protein kinase c epsilon type	Get druggable targets OG5_129314	All targets in OG5_129314
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130080	All targets in OG5_130080
Echinococcus multilocularis	serine:threonine protein kinase N2	Get druggable targets OG5_129314	All targets in OG5_129314
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130080	All targets in OG5_130080
Schistosoma japonicum	IPR000477,RNA-directed DNA polymerase (Reverse transcriptase),domain-containing	Get druggable targets OG5_129482	All targets in OG5_129482
Onchocerca volvulus		Get druggable targets OG5_130080	All targets in OG5_130080
Onchocerca volvulus		Get druggable targets OG5_130080	All targets in OG5_130080
Schistosoma mansoni	protein kinase C mu	Get druggable targets OG5_130080	All targets in OG5_130080

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Protein kinase C gamma	697 aa	665 aa	60.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	aldo-keto reductase, putative	0.1786	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1786	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0517	0.2459	0.2459
Echinococcus granulosus	aldehyde reductase	0.1269	0.6925	0.6766
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0237	0.0795	0.0795
Trypanosoma cruzi	aldo-keto reductase	0.1786	1	1
Loa Loa (eye worm)	hypothetical protein	0.0333	0.1366	0.1366
Trypanosoma brucei	prostaglandin f synthase	0.1786	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0387	0.1686	0.1257
Plasmodium vivax	aldehyde reductase, putative	0.0517	0.2459	0.5
Schistosoma mansoni	pol-related	0.1786	1	1
Echinococcus multilocularis	aldo keto reductase	0.1786	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1786	1	1
Schistosoma mansoni	aldo-keto reductase	0.1786	1	1
Schistosoma mansoni	protein kinase C mu	0.0237	0.0795	0.0319
Trichomonas vaginalis	aldo-keto reductase, putative	0.1786	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1786	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1786	1	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0387	0.1686	0.1257
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.1786	1	1
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0237	0.0795	0.0795
Loa Loa (eye worm)	hypothetical protein	0.024	0.0808	0.0808
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1786	1	1
Onchocerca volvulus		0.1786	1	1
Onchocerca volvulus		0.1786	1	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0517	0.2459	0.2459
Loa Loa (eye worm)	oxidoreductase	0.1786	1	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0517	0.2459	0.2459
Loa Loa (eye worm)	hypothetical protein	0.019	0.0516	0.0516
Mycobacterium ulcerans	oxidoreductase	0.1786	1	1
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0258	0.0258
Leishmania major	aldo-keto reductase-like protein	0.1786	1	1
Echinococcus multilocularis	serine threonine protein kinase	0.03	0.1166	0.0709
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.1786	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0517	0.2459	0.2459
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0517	0.2459	0.2459
Trichomonas vaginalis	aldo-keto reductase, putative	0.1786	1	1
Loa Loa (eye worm)	hypothetical protein	0.0278	0.1037	0.1037
Plasmodium falciparum	aldehyde reductase, putative	0.0517	0.2459	0.5
Loa Loa (eye worm)	oxidoreductase	0.1786	1	1
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.019	0.0516	0.0027
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1786	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1786	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1786	1	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0517	0.2459	0.2459
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1786	1	1
Loa Loa (eye worm)	oxidoreductase	0.1786	1	1
Entamoeba histolytica	aldose reductase, putative	0.1786	1	1
Entamoeba histolytica	aldose reductase, putative	0.1786	1	1
Schistosoma mansoni	aldo-keto reductase	0.1786	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.1786	1	1
Echinococcus granulosus	RNA directed DNA polymerase	0.019	0.0516	0.0027
Trichomonas vaginalis	aldo-keto reductase, putative	0.1786	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0517	0.2459	0.2459
Loa Loa (eye worm)	hypothetical protein	0.0432	0.1952	0.1952
Trypanosoma brucei	aldo/keto reductase, putative	0.0517	0.2459	0.2459
Echinococcus granulosus	protein kinase c epsilon type	0.0447	0.204	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0333	0.1366	0.1366
Onchocerca volvulus		0.0517	0.2459	0.2259
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1786	1	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0253	0.0886	0.0415
Brugia malayi	protein kinase C II.	0.0447	0.204	0.204
Schistosoma mansoni	serine/threonine protein kinase	0.0387	0.1686	0.1257
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0258	0.0258
Trichomonas vaginalis	aldo-keto reductase, putative	0.1786	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1786	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.1786	1	1
Schistosoma mansoni	potassium channel beta	0.0517	0.2459	0.207
Giardia lamblia	Aldose reductase	0.1786	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0333	0.1366	0.1366
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1786	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1786	1	1
Echinococcus multilocularis	aldehyde reductase	0.1269	0.6925	0.6766
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.1786	1	1
Loa Loa (eye worm)	hypothetical protein	0.0235	0.0779	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0421	0.1886	0.1886
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1786	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.1786	1	1
Toxoplasma gondii	aldose reductase, putative	0.1786	1	1
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0204	0.0595	0.0595
Mycobacterium tuberculosis	Probable oxidoreductase	0.1786	1	1
Brugia malayi	NADH-dependent xylose reductase	0.0517	0.2459	0.2459
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0258	0.0916	0.0916
Onchocerca volvulus		0.1786	1	1
Onchocerca volvulus		0.024	0.0808	0.0565
Trypanosoma cruzi	aldo/keto reductase, putative	0.1786	1	1
Echinococcus granulosus	aldo keto reductase	0.1786	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1786	1	1
Echinococcus granulosus	protein kinase C gamma type	0.03	0.1166	0.0709
Trichomonas vaginalis	aldo/keto reductase, putative	0.1786	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1786	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.1786	1	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0349	0.1456	0.1015
Onchocerca volvulus		0.0333	0.1366	0.1137
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0517	0.2459	0.5
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.1786	1	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0517	0.2459	0.207
Trichomonas vaginalis	aldo-keto reductase, putative	0.1786	1	1
Onchocerca volvulus		0.1786	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1786	1	1
Mycobacterium leprae	Conserved hypothetical protein	0.1269	0.6925	0.5922
Echinococcus multilocularis	protein kinase c epsilon type	0.0447	0.204	0.1629
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1786	1	1
Onchocerca volvulus		0.0235	0.0779	0.0534
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0517	0.2459	0.207
Echinococcus granulosus	aldo keto reductase	0.1786	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.1786	1	1
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.015	0.0274	0.0274
Trichomonas vaginalis	aldo-keto reductase, putative	0.0517	0.2459	0.2459
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1786	1	1
Echinococcus multilocularis	aldo keto reductase	0.1786	1	1
Echinococcus multilocularis	aldo keto reductase	0.1786	1	1
Echinococcus multilocularis	aldo keto reductase	0.1786	1	1
Brugia malayi	Protein kinase c protein 2	0.0291	0.1116	0.1116
Loa Loa (eye worm)	oxidoreductase	0.1786	1	1
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0447	0.204	0.204
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1786	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1786	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0447	0.204	0.1629
Onchocerca volvulus		0.1786	1	1
Echinococcus granulosus	aldo keto reductase	0.1786	1	1
Loa Loa (eye worm)	oxidoreductase	0.1786	1	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.1786	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.1786	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1786	1	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0517	0.2459	0.2459
Echinococcus multilocularis	RNA directed DNA polymerase	0.019	0.0516	0.0027
Trichomonas vaginalis	aldo-keto reductase, putative	0.1786	1	1
Giardia lamblia	Aldose reductase	0.1786	1	0.5
Leishmania major	prostaglandin f synthase, putative	0.1786	1	1
Brugia malayi	C1-like domain containing protein	0.0237	0.0795	0.0795
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.1786	1	1
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0387	0.1686	0.1257
Echinococcus granulosus	voltage gated potassium channel subunit	0.0517	0.2459	0.207
Plasmodium falciparum	aldo-keto reductase, putative	0.0517	0.2459	0.5
Onchocerca volvulus		0.1786	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1786	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.1786	1	1
Entamoeba histolytica	aldose reductase, putative	0.1786	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.1786	1	1
Echinococcus granulosus	hypothetical protein	0.1786	1	1
Loa Loa (eye worm)	hypothetical protein	0.1786	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 150 nM	Binding to PKC in 3[H]-PBDU assay	ChEMBL.	No reference
IC50 (binding)	= 150 nM	Binding to PKC in 3[H]-PBDU assay	ChEMBL.	No reference
Ki (binding)	= 3.36 nM	Inhibition of [3H]- PDBu binding to peptide D of mouse skin Protein kinase C eta	ChEMBL.	No reference
Ki (binding)	= 3.36 nM	Inhibition of [3H]- PDBu binding to peptide D of mouse skin Protein kinase C eta	ChEMBL.	No reference
Ki (binding)	= 1030 nM	Inhibition of [3H]- PDBu binding to peptide C, rat brain PKC gamma	ChEMBL.	No reference
Ki (binding)	= 1030 nM	Inhibition of [3H]- PDBu binding to peptide C, rat brain PKC gamma	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: CHEMBL120645

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 208844