TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 324.334 | Formula: C17H16N4O3
H donors: 2 H acceptors: 1 LogP: 3.1 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)N/N=C/1\C(=O)NN=C1c1cccc(c1)OC
InChi: 1S/C17H16N4O3/c1-23-13-8-6-12(7-9-13)18-20-16-15(19-21-17(16)22)11-4-3-5-14(10-11)24-2/h3-10,18H,1-2H3,(H,20,21,22)
InChiKey: ORUZLVIRDSKEAI-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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium hominis	hypothetical protein	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
Plasmodium berghei	glycogen synthase kinase 3, putative	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
Plasmodium falciparum	glycogen synthase kinase 3	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
Neospora caninum	hypothetical protein	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
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 shaggy	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
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
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Cryptosporidium parvum	hypothetical protein	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	ko:K08822 glycogen synthase kinase 3 alpha, 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
Onchocerca volvulus		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
Loa Loa (eye worm)	CMGC/GSK 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
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	hypothetical protein	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
Trichomonas vaginalis	CMGC family protein kinase	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
Plasmodium yoelii	Protein kinase domain, 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
Entamoeba histolytica	protein kinase, putative	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
Giardia lamblia	Kinase, CMGC GSK	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 mexicana	protein kinase, putative,glycogen synthase kinase, 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
Leishmania donovani	glycogen synthase kinase 3, putative	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
Echinococcus granulosus	glycogen synthase kinase 3 beta	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
Babesia bovis	protein kinase domain containing protein	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

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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0237	0.4735	0.9112
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0237	0.4735	0.7824
Brugia malayi	RNA recognition motif domain containing protein	0.0258	0.5193	0.5928
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0194	0.3805	0.7307
Echinococcus multilocularis	lamin	0.0058	0.0906	0.1684
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0859	0.086
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.5193	0.858
Echinococcus multilocularis	zinc finger protein	0.0024	0.0179	0.0273
Schistosoma mansoni	bromodomain containing protein	0.0069	0.1142	0.1887
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1341	0.1418
Loa Loa (eye worm)	hypothetical protein	0.0027	0.024	0.0142
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0058	0.0905	0.9183
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0258	0.5193	0.5882
Giardia lamblia	Kinase, CMGC GSK	0.0058	0.0905	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0056	0.0859	0.0961
Schistosoma mansoni	lamin	0.0058	0.0906	0.1498
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0058	0.0905	1
Schistosoma mansoni	zinc finger protein	0.0024	0.0179	0.0296
Echinococcus granulosus	geminin	0.0184	0.359	0.689
Loa Loa (eye worm)	MBCTL1	0.0056	0.0859	0.086
Brugia malayi	Muscleblind-like protein	0.0162	0.3125	0.3557
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0714	0.0691
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.5193	0.858
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0165	0.3184	0.6103
Brugia malayi	RNA binding protein	0.0258	0.5193	0.5928
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0237	0.4735	0.9112
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0165	0.3184	0.5261
Trichomonas vaginalis	CMGC family protein kinase	0.0058	0.0905	0.0183
Giardia lamblia	Kinase, CMGC GSK	0.0058	0.0905	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0061	0.0966	0.1596
Trichomonas vaginalis	CMGC family protein kinase	0.0058	0.0905	0.0183
Plasmodium vivax	SET domain protein, putative	0.0061	0.0966	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0688	0.0661
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0218	0.2413
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0645	0.0612
Brugia malayi	mbt repeat family protein	0.0049	0.0714	0.0794
Plasmodium falciparum	histone acetyltransferase GCN5	0.0044	0.0598	0.5533
Echinococcus multilocularis	geminin	0.0184	0.359	0.689
Echinococcus multilocularis	muscleblind protein	0.0162	0.3125	0.5987
Loa Loa (eye worm)	TAR-binding protein	0.0258	0.5193	0.5882
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0065	0.1063	0.1988
Brugia malayi	Intermediate filament tail domain containing protein	0.0058	0.0906	0.1014
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0056	0.0859	0.142
Brugia malayi	Pre-SET motif family protein	0.0424	0.8745	1
Brugia malayi	Bromodomain containing protein	0.0043	0.0592	0.0654
Entamoeba histolytica	protein kinase domain containing protein	0.0058	0.0905	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0039	0.0064
Echinococcus multilocularis	musashi	0.0058	0.0906	0.1684
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0058	0.0905	0.1495
Onchocerca volvulus		0.0058	0.0906	0.0207
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0194	0.3805	0.7307
Trypanosoma brucei	protein kinase, putative	0.0058	0.0905	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.005	0.0735	0.6917
Loa Loa (eye worm)	acetyltransferase	0.0165	0.3184	0.3554
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0056	0.0859	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0218	0.0117
Echinococcus granulosus	histone acetyltransferase KAT2B	0.005	0.0735	0.1351
Brugia malayi	cytoplasmic intermediate filament protein	0.0031	0.0329	0.0353
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0455	0.0807
Brugia malayi	PHD-finger family protein	0.003	0.0297	0.0316
Entamoeba histolytica	protein kinase, putative	0.0058	0.0905	1
Brugia malayi	Pre-SET motif family protein	0.0061	0.0966	0.1082
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0059	0.0918	0.1706
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3125	0.3485
Schistosoma mansoni	hypothetical protein	0.0184	0.359	0.5931
Loa Loa (eye worm)	hypothetical protein	0.004	0.0508	0.0453
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0039	0.0064
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0056	0.0859	0.1592
Echinococcus granulosus	polycomb protein SCMH1	0.0049	0.0714	0.131
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0237	0.4735	0.9112
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0455	0.0807
Loa Loa (eye worm)	mbt repeat family protein	0.0049	0.0714	0.0691
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0078	0.1341	0.2216
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0056	0.0859	0.1592
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.005	0.0735	0.6917
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0028	0.0263	0.0435
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0714	0.118
Trichomonas vaginalis	set domain proteins, putative	0.0483	1	1
Echinococcus multilocularis	polycomb protein SCMH1	0.0049	0.0714	0.131
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3125	0.3485
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0237	0.4735	0.5352
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0065	0.1063	0.1988
Loa Loa (eye worm)	RNA binding protein	0.0258	0.5193	0.5882
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0237	0.4735	0.7824
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0424	0.8745	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0061	0.0966	1
Echinococcus granulosus	zinc finger protein	0.0024	0.0179	0.0273
Brugia malayi	intermediate filament protein	0.0058	0.0906	0.1014
Echinococcus granulosus	histone lysine methyltransferase setb	0.0078	0.1341	0.2528
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0218	0.2413
Brugia malayi	hypothetical protein	0.0026	0.0218	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0906	0.0914
Brugia malayi	Bromodomain containing protein	0.0081	0.14	0.1581
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0028	0.0263	0.0435
Echinococcus granulosus	lamin	0.0058	0.0906	0.1684
Echinococcus granulosus	tar DNA binding protein	0.0258	0.5193	1
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.5193	0.858
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0058	0.0905	0.0912
Plasmodium falciparum	glycogen synthase kinase 3	0.0058	0.0905	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0237	0.4735	0.5403
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0237	0.4735	0.9112
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0078	0.1341	0.2528
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.016	0.0264
Echinococcus granulosus	SAM and MBT domain containing protein	0.0049	0.0714	0.131
Brugia malayi	MH2 domain containing protein	0.0129	0.243	0.276
Echinococcus granulosus	histone acetyltransferase MYST2	0.0056	0.0859	0.1592
Loa Loa (eye worm)	intermediate filament protein	0.0058	0.0906	0.0914
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0049	0.0714	0.118
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0237	0.4735	0.7824
Schistosoma mansoni	hypothetical protein	0.0021	0.0118	0.0194
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0031	0.0329	0.0245
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.5193	0.858
Echinococcus granulosus	intermediate filament protein	0.0058	0.0906	0.1684
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0061	0.0966	0.1798
Echinococcus multilocularis	muscleblind protein 1	0.0162	0.3125	0.5987
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.5193	0.858
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0058	0.0906	0.0914
Loa Loa (eye worm)	transcription factor SMAD2	0.0129	0.243	0.268
Onchocerca volvulus		0.0058	0.0905	0.0205
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0058	0.0905	0.0912
Onchocerca volvulus		0.0058	0.0906	0.0207
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0058	0.0905	0.168
Entamoeba histolytica	protein kinase domain containing protein	0.0058	0.0905	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0158	0.3035	0.5813
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0058	0.0905	0.9183
Echinococcus multilocularis	lamin dm0	0.0058	0.0906	0.1684
Loa Loa (eye worm)	MH2 domain-containing protein	0.0129	0.243	0.268
Schistosoma mansoni	hypothetical protein	0.0299	0.6052	1
Brugia malayi	TAR-binding protein	0.0258	0.5193	0.5928
Schistosoma mansoni	hypothetical protein	0.0184	0.359	0.5931
Loa Loa (eye worm)	bromodomain containing protein	0.0022	0.0137	0.0023
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0714	0.118
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.016	0.0235
Echinococcus multilocularis	tar DNA binding protein	0.0258	0.5193	1
Schistosoma mansoni	intermediate filament proteins	0.0058	0.0906	0.1498
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0078	0.1341	0.2216
Leishmania major	hypothetical protein, conserved	0.0026	0.0218	0.2413
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0884	0.0888
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0049	0.0714	0.131
Echinococcus granulosus	protein kinase shaggy	0.0058	0.0905	0.168
Echinococcus multilocularis	protein kinase shaggy	0.0058	0.0905	0.168
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0263	0.0169
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0218	0.2413
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.005	0.0735	0.6917
Schistosoma mansoni	lamin	0.0058	0.0906	0.1498
Onchocerca volvulus		0.0061	0.0966	0.0271
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0058	0.0905	0.168
Echinococcus granulosus	muscleblind protein	0.0162	0.3125	0.5987
Loa Loa (eye worm)	hypothetical protein	0.0027	0.024	0.0142
Brugia malayi	mbt repeat family protein	0.0049	0.0714	0.0794
Brugia malayi	acetyltransferase, GNAT family protein	0.0165	0.3184	0.3625
Brugia malayi	intracellular kinase	0.0058	0.0905	0.1012
Echinococcus granulosus	lamin dm0	0.0058	0.0906	0.1684
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0058	0.0905	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.016	0.0235
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0061	0.0966	0.1596
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1221	0.1279

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 18 nM	Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay	ChEMBL.	20138514

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: CHEMBL1081632

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 1111228