TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 467.562 | Formula: C28H29N5O2
H donors: 1 H acceptors: 2 LogP: 2.44 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(C)CCn2cc(C3=C(c4cn(CC1)c1ccccc41)C(=O)NC3=O)c1c2cccc1
InChi: 1S/C28H29N5O2/c1-30-11-12-31(2)14-16-33-18-22(20-8-4-6-10-24(20)33)26-25(27(34)29-28(26)35)21-17-32(15-13-30)23-9-5-3-7-19(21)23/h3-10,17-18H,11-16H2,1-2H3,(H,29,34,35)
InChiKey: CNPLEVGVGWVFGT-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glycogen synthase kinase 3 beta	Starlite/ChEMBL	References
Homo sapiens	protein kinase C, beta	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	ko:K08822 glycogen synthase kinase 3 alpha, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	Get druggable targets OG5_126888	All targets in OG5_126888
Babesia bovis	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129482	All targets in OG5_129482
Candida albicans	second truncated form of RIM11 Serine/threonine protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus granulosus	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
Schistosoma japonicum	Protein kinase C gamma type, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Candida albicans	second truncated form of RIM11 Serine/threonine protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Brugia malayi	intracellular kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	protein kinase C similar to S. cerevisiae PKC1 (YBL105C)	Get druggable targets OG5_129482	All targets in OG5_129482
Giardia lamblia	Kinase, CMGC GSK	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium vivax	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Schistosoma japonicum	Protein kinase C alpha type, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	CMGC/GSK protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	CMGC/GSK protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium falciparum	glycogen synthase kinase 3	Get druggable targets OG5_126888	All targets in OG5_126888
Giardia lamblia	Kinase, CMGC GSK	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus multilocularis	protein kinase shaggy	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	AGC/PKC/ALPHA 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
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma congolense	protein kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma brucei	protein kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus granulosus	glycogen synthase kinase 3 beta	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus granulosus	RNA directed DNA polymerase	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
Schistosoma mansoni	serine/threonine 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
Candida albicans	protein kinase C similar to S. cerevisiae PKC1 (YBL105C)	Get druggable targets OG5_129482	All targets in OG5_129482
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus multilocularis	glycogen synthase kinase 3 beta	Get druggable targets OG5_126888	All targets in OG5_126888
Schistosoma japonicum	Protein kinase C alpha type, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Trypanosoma brucei gambiense	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania infantum	glycogen synthase kinase 3	Get druggable targets OG5_126888	All targets in OG5_126888
Theileria parva	glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus granulosus	protein kinase shaggy	Get druggable targets OG5_126888	All targets in OG5_126888
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania mexicana	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Cryptosporidium parvum	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus multilocularis	serine threonine protein kinase	Get druggable targets OG5_129482	All targets in OG5_129482
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Schistosoma japonicum	Calcium-dependent protein kinase C, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Plasmodium yoelii	Protein kinase domain, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium berghei	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	Serine/threonine protein kinase required for induction of IME2 by Ime1p	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium knowlesi	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania donovani	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma cruzi	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus multilocularis	telomerase reverse transcriptase subunit	Get druggable targets OG5_129482	All targets in OG5_129482
Onchocerca volvulus		Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania braziliensis	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Neospora caninum	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888

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
Trichomonas vaginalis	malate dehydrogenase, putative	0.0185	0.2252	0.2629
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0536	0.8565	0.8565
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0085	0.0465	0.0465
Schistosoma mansoni	serine/threonine protein kinase	0.0242	0.3284	0.3284
Trichomonas vaginalis	malate dehydrogenase, putative	0.0536	0.8565	1
Echinococcus multilocularis	RNA directed DNA polymerase	0.0143	0.1503	0.1503
Echinococcus granulosus	Protein kinase C brain isozyme	0.0242	0.3284	0.3284
Toxoplasma gondii	malate dehydrogenase MDH	0.0616	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0536	0.8565	1
Brugia malayi	Probable malate dehydrogenase, mitochondrial precursor	0.0493	0.7794	0.7794
Echinococcus granulosus	L lactate dehydrogenase	0.0237	0.3195	0.3195
Plasmodium vivax	malate dehydrogenase, putative	0.0616	1	1
Leishmania major	cytosolic malate dehydrogenase	0.0536	0.8565	0.8565
Schistosoma mansoni	L-lactate dehydrogenase	0.0379	0.5742	0.5742
Mycobacterium tuberculosis	Probable malate dehydrogenase Mdh	0.0536	0.8565	0.5
Schistosoma mansoni	malate dehydrogenase	0.0493	0.7794	0.7794
Plasmodium falciparum	L-lactate dehydrogenase	0.0616	1	1
Trypanosoma brucei	malate dehydrogenase-related	0.0379	0.5742	0.6704
Trypanosoma cruzi	malate dehydrogenase, putative	0.0379	0.5742	0.6704
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0536	0.8565	0.8565
Brugia malayi	Malate dehydrogenase, cytoplasmic	0.0536	0.8565	0.8565
Echinococcus granulosus	L lactate dehydrogenase B chain	0.0616	1	1
Toxoplasma gondii	lactate dehydrogenase LDH1	0.0616	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0536	0.8565	1
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0536	0.8565	1
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0536	0.8565	1
Entamoeba histolytica	malate dehydrogenase, putative	0.0616	1	1
Loa Loa (eye worm)	hypothetical protein	0.0616	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0242	0.3284	0.3284
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1931	0.1931
Trichomonas vaginalis	malate dehydrogenase, putative	0.0379	0.5742	0.6704
Toxoplasma gondii	lactate dehydrogenase LDH2	0.0616	1	1
Loa Loa (eye worm)	malate dehydrogenase	0.0536	0.8565	0.8565
Leishmania major	malate dehydrogenase, putative	0.0379	0.5742	0.5742
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	0.0616	1	0.5
Trichomonas vaginalis	malate dehydrogenase, putative	0.0536	0.8565	1
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0151	0.1643	0.1643
Loa Loa (eye worm)	hypothetical protein	0.0221	0.2914	0.2914
Trichomonas vaginalis	malate dehydrogenase, putative	0.0536	0.8565	1
Entamoeba histolytica	malate dehydrogenase, putative	0.0536	0.8565	0.8565
Echinococcus granulosus	RNA directed DNA polymerase	0.0143	0.1503	0.1503
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0242	0.3284	0.3284
Loa Loa (eye worm)	malate dehydrogenase	0.0493	0.7794	0.7794
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0493	0.7794	0.91
Trypanosoma brucei	cytosolic malate dehydrogenase	0.0536	0.8565	1
Trypanosoma cruzi	mitochondrial malate dehydrogenase, putative	0.0493	0.7794	0.91
Echinococcus multilocularis	lactate dehydrogenase a	0.0616	1	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1931	0.1931
Echinococcus granulosus	lactate dehydrogenase a	0.0616	1	1
Schistosoma mansoni	atypical protein kinase C	0.0093	0.0609	0.0609
Trypanosoma brucei	glycosomal malate dehydrogenase	0.0493	0.7794	0.91
Trichomonas vaginalis	malate dehydrogenase, putative	0.0536	0.8565	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0138	0.1417	0.1417
Echinococcus multilocularis	protein kinase c iota type	0.0093	0.0609	0.0609
Leishmania major	malate dehydrogenase, putative	0.0616	1	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1931	0.1931
Plasmodium falciparum	malate dehydrogenase	0.0616	1	1
Loa Loa (eye worm)	hypothetical protein	0.0143	0.1503	0.1503
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0536	0.8565	1
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0493	0.7794	0.91
Entamoeba histolytica	malate dehydrogenase,cytoplasmic, putative	0.0536	0.8565	0.8565
Echinococcus granulosus	malate dehydrogenase	0.0493	0.7794	0.7794
Trichomonas vaginalis	malate dehydrogenase, putative	0.0536	0.8565	1
Giardia lamblia	Malate dehydrogenase	0.0536	0.8565	1
Echinococcus granulosus	malate dehydrogenase	0.0493	0.7794	0.7794
Mycobacterium ulcerans	malate dehydrogenase	0.0536	0.8565	0.5
Schistosoma mansoni	malate dehydrogenase	0.0536	0.8565	0.8565
Trypanosoma cruzi	malate dehydrogenase, putative	0.0493	0.7794	0.91
Echinococcus multilocularis	malate dehydrogenase	0.0493	0.7794	0.7794
Echinococcus multilocularis	lactate dehydrogenase a	0.0616	1	1
Brugia malayi	protein kinase C II.	0.0182	0.2215	0.2215
Leishmania major	mitochondrial malate dehydrogenase	0.0493	0.7794	0.7794
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.0616	1	1
Plasmodium vivax	lactate dehydrogenase	0.0616	1	1
Mycobacterium leprae	PROBABLE MALATE DEHYDROGENASE MDH	0.0536	0.8565	0.5
Trichomonas vaginalis	malate dehydrogenase, putative	0.0536	0.8565	1
Plasmodium falciparum	lactate dehydrogenase, putative	0.0379	0.5742	0.5742
Echinococcus granulosus	protein kinase c epsilon type	0.0182	0.2215	0.2215
Echinococcus granulosus	serine:threonine protein kinase N2	0.0085	0.0465	0.0465
Echinococcus multilocularis	serine threonine protein kinase	0.0204	0.2596	0.2596
Schistosoma mansoni	malate dehydrogenase	0.0616	1	1
Echinococcus granulosus	lactate dehydrogenase a	0.0616	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0342	0.5075	0.5925
Echinococcus multilocularis	protein kinase c epsilon type	0.0182	0.2215	0.2215
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0182	0.2215	0.2215
Trypanosoma brucei	mitochondrial malate dehydrogenase	0.0493	0.7794	0.91
Trichomonas vaginalis	malate dehydrogenase, putative	0.0536	0.8565	1
Chlamydia trachomatis	malate dehydrogenase	0.0536	0.8565	0.5
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0143	0.1503	0.1503
Leishmania major	glycosomal malate dehydrogenase	0.0493	0.7794	0.7794
Echinococcus multilocularis	lactate dehydrogenase a	0.0616	1	1
Loa Loa (eye worm)	hypothetical protein	0.0205	0.2619	0.2619
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0536	0.8565	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.2191	0.2191
Trichomonas vaginalis	malate dehydrogenase, putative	0.0536	0.8565	1
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0536	0.8565	0.8565
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0536	0.8565	1
Echinococcus granulosus	protein kinase C gamma type	0.0204	0.2596	0.2596
Schistosoma mansoni	serine/threonine protein kinase	0.0182	0.2215	0.2215
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0536	0.8565	0.8565
Echinococcus multilocularis	L lactate dehydrogenase	0.0237	0.3195	0.3195
Schistosoma mansoni	L-lactate dehydrogenase	0.0616	1	1
Echinococcus granulosus	lactate dehydrogenase protein	0.0616	1	1
Brugia malayi	Protein kinase c protein 2	0.0189	0.2331	0.2331
Echinococcus granulosus	protein kinase c iota type	0.0093	0.0609	0.0609
Echinococcus multilocularis	lactate dehydrogenase protein	0.0616	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0536	0.8565	1
Plasmodium vivax	lactate/malate dehydrogenase, putative	0.0379	0.5742	0.5742
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0536	0.8565	1
Schistosoma mansoni	malate dehydrogenase	0.0536	0.8565	0.8565
Echinococcus multilocularis	malate dehydrogenase	0.0493	0.7794	0.7794
Onchocerca volvulus		0.0167	0.1931	1
Leishmania major	malate dehydrogenase	0.0493	0.7794	0.7794

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	uM	Inhibition of Protein kinase C epsilon (not determined)	ChEMBL.	12941331
IC50 (binding)	uM	Inhibition of Protein kinase C delta (not determined)	ChEMBL.	12941331
IC50 (binding)	uM	Inhibition of Protein kinase C zeta (not determined)	ChEMBL.	12941331
IC50 (binding)	0 uM	Inhibition of Protein kinase C delta (not determined)	ChEMBL.	12941331
IC50 (binding)	0 uM	Inhibition of Protein kinase C epsilon (not determined)	ChEMBL.	12941331
IC50 (binding)	0 uM	Inhibition of Protein kinase C zeta (not determined)	ChEMBL.	12941331
IC50 (binding)	= 0.11 uM	Inhibition of Glycogen synthase kinase-3 beta	ChEMBL.	12941331
IC50 (binding)	= 0.11 uM	Inhibition of Glycogen synthase kinase-3 beta	ChEMBL.	12941331
IC50 (binding)	= 0.2 uM	Inhibition of Protein kinase C beta 2	ChEMBL.	12941331
IC50 (binding)	= 0.2 uM	Inhibition of Protein kinase C beta 2	ChEMBL.	12941331
IC50 (binding)	= 0.25 uM	Inhibition of Protein kinase C beta 1	ChEMBL.	12941331
IC50 (binding)	= 0.25 uM	Inhibition of Protein kinase C beta 1	ChEMBL.	12941331
Inhibition (binding)	= 23 %	Inhibition of Protein kinase C gamma at 1 uM	ChEMBL.	12941331
Inhibition (binding)	= 23 %	Inhibition of Protein kinase C gamma at 1 uM	ChEMBL.	12941331
Inhibition (binding)	= 35 %	Inhibition of Protein kinase C alpha	ChEMBL.	12941331
Inhibition (binding)	= 35 %	Inhibition of Protein kinase C alpha	ChEMBL.	12941331

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: CHEMBL319265

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 170254