TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 310.307 | Formula: C16H14N4O3
H donors: 1 H acceptors: 4 LogP: 1.27 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cn1)c1ocnc1C(=O)NCc1ccncc1
InChi: 1S/C16H14N4O3/c1-22-13-3-2-12(9-18-13)15-14(20-10-23-15)16(21)19-8-11-4-6-17-7-5-11/h2-7,9-10H,8H2,1H3,(H,19,21)
InChiKey: LCQRNLSJVMJXSZ-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	cyclin-dependent kinase 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium falciparum	protein kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Theileria parva	glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Entamoeba histolytica	cell division protein kinase 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania braziliensis	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania braziliensis	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	glycogen synthase kinase 3 beta	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Babesia bovis	cell division control protein 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Giardia lamblia	Kinase, CMGC GSK	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma cruzi	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Theileria parva	cell division control protein 2 related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania major	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania donovani	cell division protein kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Giardia lamblia	Kinase, CMGC CDK	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei gambiense	protein kinase, putative,glycogen synthase kinase, 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
Brugia malayi	intracellular kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania infantum	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania infantum	glycogen synthase kinase 3	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium knowlesi	Cell division control protein 2 homolog	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma cruzi	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium vivax	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania infantum	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma japonicum	ko:K02087 cyclin-dependent kinase 1, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei	protein kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma cruzi	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trichomonas vaginalis	CMGC family protein kinase	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
Schistosoma japonicum	ko:K02090 cyclin-dependent kinase 5, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium falciparum	glycogen synthase kinase 3	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania mexicana	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma congolense	cdc2-related kinase 1, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Entamoeba histolytica	protein kinase domain containing protein	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
Plasmodium berghei	cdc2-related kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Neospora caninum	hypothetical protein	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
Echinococcus multilocularis	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	cell division control protein 2 homolog	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cyclin dependent kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Giardia lamblia	Kinase, CMGC CDK	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania donovani	cdc2-related kinase 3, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Cryptosporidium hominis	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 mansoni	serine/threonine protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium yoelii	cdc2-related kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium vivax	protein kinase Crk2	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma congolense	cdc2-related kinase 3, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium yoelii	Protein kinase domain, putative	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
Leishmania braziliensis	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Onchocerca volvulus		Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus granulosus	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Cryptosporidium hominis	cdc2-like protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania donovani	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
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania mexicana	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	CMGC/GSK protein kinase	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
Candida albicans	Serine/threonine protein kinase required for induction of IME2 by Ime1p	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma brucei	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania mexicana	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma brucei gambiense	cell division related protein kinase 2, putative,CDC2-related protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Cryptosporidium parvum	Cdc2-like CDK2/CDC28 like protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Neospora caninum	CMGC kinase, CDK family TgPK2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Babesia bovis	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Entamoeba histolytica	cell division protein kinase 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
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
Candida albicans	Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
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
Trypanosoma brucei gambiense	cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cyclin dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma cruzi	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Cryptosporidium parvum	hypothetical 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
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	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
Trypanosoma congolense	protein kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	cyclin-dependent kinase 3	305 aa	303 aa	32.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.008	0.1799	0.3593
Loa Loa (eye worm)	hypothetical protein	0.0052	0.077	0.1539
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.1534	0.3064
Plasmodium falciparum	glutathione reductase	0.0097	0.2405	1
Echinococcus granulosus	nuclear receptor nhr 48	0.008	0.1799	0.3593
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0034	0.0137	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0171	0.5006	1
Echinococcus granulosus	cyclin dependent kinase 1	0.0053	0.081	0.1618
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.0656	0.131
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.009	0.2142	0.4279
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0247	0.7733	1
Entamoeba histolytica	protein kinase domain containing protein	0.0059	0.1021	0.2915
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0053	0.081	0.1618
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0171	0.5006	1
Brugia malayi	intracellular kinase	0.0059	0.1021	0.2039
Plasmodium falciparum	thioredoxin reductase	0.0097	0.2405	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.009	0.2142	0.2142
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0171	0.5006	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.008	0.1799	0.3593
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0034	0.0137	0.5
Plasmodium falciparum	glycogen synthase kinase 3	0.0059	0.1021	0.4245
Echinococcus multilocularis	cyclin dependent kinase 1	0.0053	0.081	0.1618
Loa Loa (eye worm)	hypothetical protein	0.008	0.1799	0.3593
Loa Loa (eye worm)	hypothetical protein	0.009	0.2142	0.4279
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.0656	0.131
Onchocerca volvulus	Bile acid receptor homolog	0.0171	0.5006	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0171	0.5006	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.1799	0.3593
Schistosoma mansoni	nuclear receptor nhr-48	0.008	0.1799	0.1799
Brugia malayi	hypothetical protein	0.0073	0.1534	0.3064
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0171	0.5006	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0656	0.131
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0224	0.0224
Trypanosoma brucei	cdc2-related kinase 1	0.0053	0.081	0.2966
Brugia malayi	nuclear receptor NHR-67	0.008	0.1799	0.3593
Brugia malayi	Steroid receptor seven-up type 2	0.0171	0.5006	1
Brugia malayi	hypothetical protein	0.009	0.2142	0.4279
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.008	0.1799	0.3593
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.008	0.1799	0.3593
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0034	0.0137	0.5
Brugia malayi	conserved hypotetical protein	0.008	0.1799	0.3593
Entamoeba histolytica	hypothetical protein	0.0073	0.1534	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.008	0.1799	0.3593
Brugia malayi	nuclear receptor NHR-88	0.0171	0.5006	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.1799	0.3593
Brugia malayi	hypothetical protein	0.008	0.1799	0.3593
Mycobacterium tuberculosis	Probable oxidoreductase	0.0247	0.7733	1
Brugia malayi	Nuclear hormone receptor E75	0.008	0.1799	0.3593
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0098	0.2423	0.484
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0171	0.5006	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0034	0.0137	0.0572
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0171	0.5006	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.008	0.1799	0.3593
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0171	0.5006	1
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.081	0.7612
Plasmodium vivax	glutathione reductase, putative	0.0097	0.2405	1
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.081	0.081
Brugia malayi	steroid hormone receptor	0.0171	0.5006	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.2142	0.4279
Loa Loa (eye worm)	hypothetical protein	0.008	0.1799	0.3593
Loa Loa (eye worm)	nuclear hormone receptor	0.008	0.1799	0.3593
Toxoplasma gondii	NADPH-glutathione reductase	0.0034	0.0137	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0153	0.4373	0.8735
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0034	0.0137	0.0572
Schistosoma mansoni	coup transcription factor	0.0171	0.5006	0.5006
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0171	0.5006	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0034	0.0137	0.0137
Brugia malayi	jmjC domain containing protein	0.0098	0.2423	0.484
Loa Loa (eye worm)	hypothetical protein	0.009	0.2142	0.4279
Loa Loa (eye worm)	thioredoxin reductase	0.0097	0.2405	0.4804
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0048	0.0656	0.131
Loa Loa (eye worm)	hypothetical protein	0.008	0.1799	0.3593
Brugia malayi	nuclear receptor NHR-88	0.008	0.1799	0.3593
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0171	0.5006	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0059	0.1021	0.2039
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.008	0.1799	0.1799
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0171	0.5006	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0171	0.5006	1
Trypanosoma cruzi	cdc2-related kinase 3	0.0053	0.081	0.2966
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0171	0.5006	1
Brugia malayi	hypothetical protein	0.008	0.1799	0.3593
Onchocerca volvulus		0.0059	0.1021	0.2039
Loa Loa (eye worm)	hypothetical protein	0.008	0.1799	0.3593
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0053	0.081	0.2966
Echinococcus multilocularis	FTZ F1 alpha	0.0171	0.5006	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0222	0.685	0.8837
Entamoeba histolytica	protein kinase domain containing protein	0.0059	0.1021	0.2915
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0171	0.5006	1
Loa Loa (eye worm)	hypothetical protein	0.0171	0.5006	1
Entamoeba histolytica	hypothetical protein	0.0073	0.1534	1
Trypanosoma brucei	trypanothione reductase	0.0097	0.2405	1
Trypanosoma brucei	cdc2-related kinase 3	0.0053	0.081	0.2966
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0171	0.5006	0.5006
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0171	0.5006	1
Echinococcus granulosus	GPCR family 2	0.0048	0.0656	0.131
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.008	0.1799	0.3593
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0048	0.0656	0.131
Giardia lamblia	Kinase, CMGC GSK	0.0059	0.1021	1
Brugia malayi	nuclear hormone receptor	0.008	0.1799	0.3593
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0097	0.2405	0.2985
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0153	0.4373	0.8735
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.008	0.1799	0.3593
Loa Loa (eye worm)	hypothetical protein	0.0171	0.5006	1
Brugia malayi	ecdysone receptor	0.008	0.1799	0.3593
Loa Loa (eye worm)	hypothetical protein	0.0171	0.5006	1
Brugia malayi	nuclear receptor RXR	0.008	0.1799	0.3593
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0034	0.0137	0.0275
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.008	0.1799	0.3593
Schistosoma mansoni	hypothetical protein	0.0048	0.0656	0.0656
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0034	0.0137	0.0275
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0171	0.5006	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0171	0.5006	0.5006
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.009	0.2142	0.2142
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0048	0.0656	0.131
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.0417	0.0833
Brugia malayi	Thioredoxin reductase	0.0097	0.2405	0.4804
Loa Loa (eye worm)	hypothetical protein	0.0171	0.5006	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0171	0.5006	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0153	0.4373	0.8735
Schistosoma mansoni	hypothetical protein	0.0048	0.0656	0.0656
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0247	0.7733	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0053	0.081	0.1618
Schistosoma mansoni	hypothetical protein	0.0104	0.2652	0.2652
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0053	0.081	0.1618
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.008	0.1799	0.3593
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0153	0.4373	0.8735
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0761	0.152
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.1534	0.3064
Mycobacterium tuberculosis	Probable dehydrogenase	0.0222	0.685	0.8837
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0171	0.5006	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0171	0.5006	1
Trypanosoma brucei	protein kinase, putative	0.0059	0.1021	0.3897
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0034	0.0137	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0171	0.5006	1
Schistosoma mansoni	nuclear receptor	0.008	0.1799	0.1799
Schistosoma mansoni	RAR-like nuclear receptor	0.0171	0.5006	0.5006
Loa Loa (eye worm)	hypothetical protein	0.009	0.2142	0.4279
Schistosoma mansoni	hypothetical protein	0.0048	0.0656	0.0656
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.1021	1
Echinococcus multilocularis	cyclin dependent kinase	0.0053	0.081	0.1618
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0171	0.5006	1
Loa Loa (eye worm)	glutathione reductase	0.0097	0.2405	0.4804
Schistosoma mansoni	jumonji domain containing protein	0.0078	0.1706	0.1706
Schistosoma mansoni	retinoic acid receptor RXR	0.0171	0.5006	0.5006
Loa Loa (eye worm)	hypothetical protein	0.008	0.1799	0.3593
Loa Loa (eye worm)	nuclear receptor NHR-67	0.008	0.1799	0.3593
Giardia lamblia	Kinase, CMGC CDK	0.0053	0.081	0.7934
Plasmodium falciparum	glutathione reductase	0.0034	0.0137	0.0572
Brugia malayi	latrophilin 2 splice variant baaae	0.0104	0.2652	0.5298
Giardia lamblia	Kinase, CMGC GSK	0.0059	0.1021	1
Schistosoma mansoni	zinc finger protein	0.008	0.1799	0.1799
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0222	0.685	0.8837
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0171	0.5006	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0224	0.0448
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0171	0.5006	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.1799	0.3593
Brugia malayi	ecdysteroid receptor	0.0171	0.5006	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0034	0.0137	0.0572
Brugia malayi	orphan nuclear receptor NR2E1	0.008	0.1799	0.3593
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0059	0.1021	0.2039
Brugia malayi	nuclear receptor RXR	0.009	0.2142	0.4279
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0053	0.081	0.2966
Loa Loa (eye worm)	hypothetical protein	0.0171	0.5006	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.2142	0.4279
Plasmodium falciparum	protein kinase 5	0.0053	0.081	0.3368
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0171	0.5006	1
Brugia malayi	Nuclear hormone receptor-like 1	0.009	0.2142	0.4279
Brugia malayi	Protein kinase domain containing protein	0.0053	0.081	0.1618
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0171	0.5006	0.5006
Brugia malayi	nuclear hormone receptor family member nhr-6	0.008	0.1799	0.3593
Schistosoma mansoni	nuclear receptor	0.008	0.1799	0.1799
Brugia malayi	jmjC domain containing protein	0.0036	0.0224	0.0448
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0059	0.1021	0.2039
Echinococcus granulosus	Nuclear hormone receptor HR96	0.008	0.1799	0.3593
Brugia malayi	hypothetical protein	0.009	0.2142	0.4279
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.081	0.081
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0059	0.1021	0.1021
Loa Loa (eye worm)	hypothetical protein	0.0171	0.5006	1
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0053	0.081	0.1618
Brugia malayi	nuclear hormone receptor family member odr-7	0.008	0.1799	0.3593
Onchocerca volvulus		0.008	0.1799	0.3593
Echinococcus granulosus	cyclin dependent kinase	0.0053	0.081	0.1618
Trypanosoma cruzi	trypanothione reductase, putative	0.0097	0.2405	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0034	0.0137	0.0572
Loa Loa (eye worm)	transcription factor SMAD2	0.0124	0.3335	0.6661
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0171	0.5006	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0034	0.0137	0.0275
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0034	0.0137	0.5
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.008	0.1799	0.3593
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0171	0.5006	0.5006
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0171	0.5006	1
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.081	0.7612
Loa Loa (eye worm)	DR-78	0.008	0.1799	0.3593
Brugia malayi	nuclear hormone receptor	0.0171	0.5006	1
Onchocerca volvulus		0.0171	0.5006	1
Plasmodium vivax	thioredoxin reductase, putative	0.0097	0.2405	1
Trypanosoma cruzi	cdc2-related kinase 1	0.0053	0.081	0.2966
Schistosoma mansoni	nuclear hormone receptor	0.008	0.1799	0.1799
Echinococcus multilocularis	protein kinase shaggy	0.0059	0.1021	0.2039
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0171	0.5006	1
Loa Loa (eye worm)	hypothetical protein	0.0171	0.5006	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0171	0.5006	0.5006
Mycobacterium tuberculosis	Probable reductase	0.0222	0.685	0.8837
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0059	0.1021	0.4245
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.008	0.1799	0.3593
Loa Loa (eye worm)	hypothetical protein	0.008	0.1799	0.3593
Onchocerca volvulus	Protein ultraspiracle homolog	0.0171	0.5006	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0224	0.0448
Schistosoma mansoni	nuclear hormone receptor	0.008	0.1799	0.1799
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0417	0.0833
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0224	0.0448
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0048	0.0656	0.131
Schistosoma mansoni	nuclear hormone receptor	0.0171	0.5006	0.5006
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.1134	0.2265
Entamoeba histolytica	hypothetical protein	0.0073	0.1534	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0097	0.2405	0.4804
Giardia lamblia	Kinase, CMGC CDK	0.0053	0.081	0.7934
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0059	0.1021	0.2039
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0171	0.5006	1
Echinococcus multilocularis	GPCR, family 2	0.0048	0.0656	0.131
Brugia malayi	MH2 domain containing protein	0.0124	0.3335	0.6661
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0171	0.5006	1
Plasmodium vivax	protein kinase Crk2	0.0053	0.081	0.3368
Brugia malayi	Nuclear hormone receptor E75	0.008	0.1799	0.3593
Onchocerca volvulus		0.008	0.1799	0.3593
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0034	0.0137	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0171	0.5006	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0171	0.5006	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.1799	0.3593
Loa Loa (eye worm)	steroid hormone receptor	0.0171	0.5006	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.008	0.1799	0.3593
Brugia malayi	glutathione reductase	0.0097	0.2405	0.4804
Echinococcus multilocularis	cyclin dependent kinase 5	0.0053	0.081	0.1618
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.009	0.2142	0.4279
Echinococcus granulosus	thioredoxin glutathione reductase	0.0097	0.2405	0.4804
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.1021	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0034	0.0137	0.1346
Loa Loa (eye worm)	MH2 domain-containing protein	0.0124	0.3335	0.6661
Brugia malayi	Nuclear hormone receptor-like 1	0.009	0.2142	0.4279
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.0656	0.131
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0059	0.1021	0.3897
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0222	0.685	0.8837
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0098	0.2423	0.484
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.008	0.1799	0.3593
Brugia malayi	tailless protein	0.008	0.1799	0.3593
Schistosoma mansoni	hypothetical protein	0.0073	0.1534	0.1534
Treponema pallidum	NADH oxidase	0.0034	0.0137	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.1799	0.3593
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.1534	0.1534
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.081	0.7612
Trypanosoma cruzi	cdc2-related kinase 1	0.0053	0.081	0.2966
Loa Loa (eye worm)	hypothetical protein	0.0171	0.5006	1
Leishmania major	trypanothione reductase	0.0097	0.2405	1
Brugia malayi	cell division control protein 2 homolog	0.0053	0.081	0.1618
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0171	0.5006	0.5006
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0171	0.5006	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0171	0.5006	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0222	0.685	0.8837
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0224	0.0224
Plasmodium falciparum	thioredoxin reductase	0.0034	0.0137	0.0572
Echinococcus granulosus	thyroid hormone receptor alpha	0.008	0.1799	0.3593
Entamoeba histolytica	protein kinase, putative	0.0059	0.1021	0.2915
Schistosoma mansoni	thyroid hormone receptor	0.0171	0.5006	0.5006
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.009	0.2142	0.4279
Echinococcus granulosus	FTZ F1 alpha	0.0171	0.5006	1
Toxoplasma gondii	thioredoxin reductase	0.0097	0.2405	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0171	0.5006	0.5006
Brugia malayi	photoreceptor-specific nuclear receptor	0.0171	0.5006	1
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0053	0.081	0.3368
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0171	0.5006	1
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0059	0.1021	0.3897
Trypanosoma cruzi	cdc2-related kinase 3	0.0053	0.081	0.2966
Schistosoma mansoni	hypothetical protein	0.0048	0.0656	0.0656
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0034	0.0137	0.0572
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.008	0.1799	0.1799
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0171	0.5006	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0171	0.5006	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.1799	0.3593
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0059	0.1021	0.4245
Entamoeba histolytica	hypothetical protein	0.0073	0.1534	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0171	0.5006	1
Echinococcus granulosus	cyclin dependent kinase 5	0.0053	0.081	0.1618
Schistosoma mansoni	thyroid hormone receptor	0.0171	0.5006	0.5006
Echinococcus granulosus	protein kinase shaggy	0.0059	0.1021	0.2039
Loa Loa (eye worm)	hypothetical protein	0.0104	0.2652	0.5298
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0247	0.7733	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0053	0.081	0.1618
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0171	0.5006	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.3	Inhibition of CDK2 by AlphaLISA assay	ChEMBL.	22310227
IC50 (binding)	= 5.7	Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay	ChEMBL.	22310227
IC50 (binding)	= 7.1	Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay	ChEMBL.	22310227

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: CHEMBL1957098

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1616741