TDR Targets

Basic information

Technical information

TDR Targets ID: 1825692
Name: 2-(2-cyclohexylethylamino)-3-methyl-6-pyridin -4-ylpyrimidin-4-one
MW: 312.409 | Formula: C18H24N4O
H donors: 1 H acceptors: 2 LogP: 2.95 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=c1cc(nc(n1C)NCCC1CCCCC1)c1ccncc1
InChi: 1S/C18H24N4O/c1-22-17(23)13-16(15-8-10-19-11-9-15)21-18(22)20-12-7-14-5-3-2-4-6-14/h8-11,13-14H,2-7,12H2,1H3,(H,20,21)
InChiKey: XDYBZOOSABMLKX-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

2-(2-cyclohexylethylamino)-3-methyl-6-(4-pyridyl)pyrimidin-4-one
2-(2-cyclohexylethylamino)-3-methyl-6-(4-pyridyl)-4-pyrimidinone
2-(2-cyclohexylethylamino)-3-methyl-6-pyridin-4-yl-pyrimidin-4-one

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	second truncated form of RIM11 Serine/threonine protein kinase	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
Leishmania donovani	glycogen synthase kinase 3, 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 multilocularis	glycogen synthase kinase 3 beta	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
Trypanosoma brucei	protein kinase, putative	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
Plasmodium yoelii	Protein kinase domain, 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
Plasmodium berghei	glycogen synthase kinase 3, 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
Loa Loa (eye worm)	CMGC/GSK protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma brucei gambiense	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	second truncated form of RIM11 Serine/threonine protein kinase	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
Brugia malayi	intracellular kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Cryptosporidium parvum	hypothetical protein	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
Echinococcus granulosus	glycogen synthase kinase 3 beta	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
Trypanosoma cruzi	glycogen synthase kinase 3, putative	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
Giardia lamblia	Kinase, CMGC GSK	Get druggable targets OG5_126888	All targets in OG5_126888
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Neospora caninum	hypothetical protein	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
Schistosoma japonicum	ko:K08822 glycogen synthase kinase 3 alpha, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Onchocerca volvulus		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
Echinococcus multilocularis	protein kinase shaggy	Get druggable targets OG5_126888	All targets in OG5_126888
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	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
Trypanosoma congolense	protein 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
Plasmodium vivax	glycogen synthase kinase 3, putative	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
Plasmodium falciparum	glycogen synthase kinase 3	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

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
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0127	0.1648	1
Schistosoma mansoni	peptidase	0.0127	0.1648	0.1648
Loa Loa (eye worm)	zinc carboxypeptidase	0.0127	0.1648	0.1993
Echinococcus granulosus	Zinc carboxypeptidase family protein	0.0127	0.1648	0.1648
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1648	0.1993
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0127	0.1648	1
Trypanosoma cruzi	Carboxypeptidase-like protein	0.0127	0.1648	1
Onchocerca volvulus		0.0739	1	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1648	0.1993
Plasmodium vivax	hypothetical protein, conserved	0.0127	0.1648	1
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0008	0.003	0.003
Schistosoma mansoni	hypothetical protein	0.0127	0.1648	0.1648
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1648	0.1993
Echinococcus granulosus	cytosolic carboxypeptidase protein 5	0.0127	0.1648	0.1648
Loa Loa (eye worm)	hypothetical protein	0.0008	0.003	0.0036
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0008	0.003	0.003
Onchocerca volvulus		0.0739	1	1
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0008	0.003	0.0036
Echinococcus granulosus	hyperpolarization activated cyclic	0.0008	0.003	0.003
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0127	0.1648	1
Brugia malayi	Zinc carboxypeptidase family protein	0.0127	0.1648	1
Brugia malayi	Zinc carboxypeptidase family protein	0.0127	0.1648	1
Brugia malayi	Carboxypeptidase A2 precursor	0.0127	0.1648	1
Brugia malayi	Zinc carboxypeptidase family protein	0.0127	0.1648	1
Trypanosoma cruzi	zinc carboxypeptidase, putative	0.0127	0.1648	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0052	0.0063
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.003	0.003
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0042	0.0484	0.2936
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0012	0.0082	0.0082
Loa Loa (eye worm)	zinc carboxypeptidase	0.0127	0.1648	0.1993
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0082	0.0099
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.1648	1
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0058	0.0709	0.4304
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1648	0.1993
Entamoeba histolytica	protein kinase domain containing protein	0.0058	0.0709	0.5
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0127	0.1648	1
Echinococcus multilocularis	Zinc carboxypeptidase family protein	0.0127	0.1648	0.1648
Onchocerca volvulus		0.0739	1	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1648	0.1993
Trypanosoma brucei	protein kinase, putative	0.0058	0.0709	0.391
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0042	0.0484	0.0484
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0127	0.1648	1
Brugia malayi	Zinc carboxypeptidase family protein	0.0127	0.1648	1
Loa Loa (eye worm)	zinc carboxypeptidase	0.0127	0.1648	0.1993
Trichomonas vaginalis	CMGC family protein kinase	0.0058	0.0709	0.4199
Onchocerca volvulus	Subfamily M14A unassigned peptidase homolog	0.0739	1	1
Entamoeba histolytica	protein kinase domain containing protein	0.0058	0.0709	0.5
Echinococcus granulosus	cytosolic carboxypeptidase 1	0.0127	0.1648	0.1648
Echinococcus multilocularis	cytosolic carboxypeptidase protein 5	0.0127	0.1648	0.1648
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1648	0.1993
Loa Loa (eye worm)	hypothetical protein	0.0612	0.8269	1
Onchocerca volvulus		0.0739	1	1
Toxoplasma gondii	flagellar/basal body protein	0.0127	0.1648	1
Schistosoma mansoni	subfamily M14A unassigned peptidase (M14 family)	0.0739	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0082	0.0082
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0012	0.0082	0.0082
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.003	0.003
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0042	0.0484	0.0585
Schistosoma mansoni	family M14 non-peptidase homologue (M14 family)	0.0127	0.1648	0.1648
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.1648	1
Schistosoma mansoni	peptidase	0.0127	0.1648	0.1648
Schistosoma mansoni	peptidase	0.0127	0.1648	0.1648
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0058	0.0709	0.4304
Echinococcus granulosus	voltage gated potassium channel	0.0012	0.0082	0.0082
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0008	0.003	0.003
Echinococcus granulosus	protein kinase shaggy	0.0058	0.0709	0.0709
Schistosoma mansoni	protease m14 carboxypeptidase	0.0127	0.1648	0.1648
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14, putative	0.0127	0.1648	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1648	0.1993
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0008	0.003	0.003
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0008	0.003	0.0036
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.1648	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.1648	1
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0127	0.1648	1
Echinococcus multilocularis	voltage gated potassium channel	0.0012	0.0082	0.0082
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.003	0.003
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.1648	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0039	0.0447	0.2576
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0012	0.0082	0.0496
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0008	0.003	0.003
Loa Loa (eye worm)	cytochrome P450 family protein	0.0014	0.0106	0.0129
Onchocerca volvulus		0.0127	0.1648	0.1011
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0008	0.003	0.003
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0058	0.0709	0.0858
Schistosoma mansoni	metallocarboxypeptidase D peptidase unit 2 (M14 family)	0.0127	0.1648	0.1648
Brugia malayi	Zinc carboxypeptidase family protein	0.0127	0.1648	1
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0127	0.1648	1
Leishmania major	cytochrome p450-like protein	0.0014	0.0106	0.0646
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0058	0.0709	0.0709
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.003	0.003
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.1648	1
Trichomonas vaginalis	CMGC family protein kinase	0.0058	0.0709	0.4199
Loa Loa (eye worm)	zinc carboxypeptidase	0.0127	0.1648	0.1993
Brugia malayi	Cytochrome P450 family protein	0.0014	0.0106	0.0646
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1648	0.1993
Plasmodium falciparum	glycogen synthase kinase 3	0.0058	0.0709	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.1648	1
Echinococcus multilocularis		0.0127	0.1648	0.1648
Echinococcus granulosus	hyperpolarization activated cyclic	0.0008	0.003	0.003
Schistosoma mansoni	voltage-gated potassium channel	0.0045	0.0536	0.0536
Brugia malayi	intracellular kinase	0.0058	0.0709	0.4304
Echinococcus multilocularis	protein kinase shaggy	0.0058	0.0709	0.0709
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.1648	1
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0058	0.0709	0.0709
Schistosoma mansoni	carboxypeptidase N (M14 family)	0.0127	0.1648	0.1648
Loa Loa (eye worm)	CYP4Cod1	0.0014	0.0106	0.0129
Schistosoma mansoni	60S ribosomal protein L21	0.0007	0.0007	0.0007
Brugia malayi	Zinc carboxypeptidase family protein	0.0127	0.1648	1
Toxoplasma gondii	zinc carboxypeptidase, putative	0.0127	0.1648	1
Entamoeba histolytica	protein kinase, putative	0.0058	0.0709	0.5
Onchocerca volvulus	Cytosolic carboxypeptidase 1 homolog	0.0127	0.1648	0.1011
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14, putative	0.0127	0.1648	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.003	0.003
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.003	0.003
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0127	0.1648	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0409	0.0495
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0008	0.003	0.003
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14	0.0127	0.1648	1
Trypanosoma brucei	Carboxypeptidase-like protein	0.0127	0.1648	1
Onchocerca volvulus	Carboxypeptidase D homolog	0.0127	0.1648	0.1011
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0014	0.0106	0.5
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.1648	1
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0008	0.003	0.018
Brugia malayi	Cytochrome P450 family protein	0.0014	0.0106	0.0646
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.1648	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.1648	1
Schistosoma mansoni	voltage-gated potassium channel	0.0045	0.0536	0.0536
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0042	0.0484	0.0484
Echinococcus multilocularis	subfamily M14A unassigned peptidase	0.0739	1	1
Brugia malayi	Zinc carboxypeptidase family protein	0.0127	0.1648	1
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1648	0.1993
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0058	0.0709	0.0858
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0008	0.003	0.003
Loa Loa (eye worm)	cytochrome P450 family protein	0.0014	0.0106	0.0129
Brugia malayi	Zinc carboxypeptidase family protein	0.0127	0.1648	1
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0127	0.1648	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1648	0.1993
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0127	0.1648	1
Onchocerca volvulus		0.0127	0.1648	0.1011
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0008	0.003	0.003
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0058	0.0709	0.391
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0039	0.0447	0.2576
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0058	0.0709	0.0709

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 39 nM	Inhibition of human recombinant GSK3beta using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry	ChEMBL.	24094818

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: CHEMBL3093049

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 1825692