TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 450.535 | Formula: C27H26N6O
H donors: 2 H acceptors: 3 LogP: 4.06 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)c1cccc2c1nc([nH]2)c1n[nH]c2c1ccc(c2)c1ccc(cc1)C(=O)C
InChi: 1S/C27H26N6O/c1-17(34)18-6-8-19(9-7-18)20-10-11-21-23(16-20)30-31-25(21)27-28-22-4-3-5-24(26(22)29-27)33-14-12-32(2)13-15-33/h3-11,16H,12-15H2,1-2H3,(H,28,29)(H,30,31)
InChiKey: RYPZLFZFYMAFNB-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	protein kinase C, iota	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
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
Leishmania mexicana	cell division related protein kinase 2,cdc2-related kinase	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
Echinococcus multilocularis	cyclin dependent kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania mexicana	cell division protein kinase 2,cdc2-related kinase	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
Giardia lamblia	Kinase, CMGC CDK	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium knowlesi	Cell division control protein 2 homolog	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
Schistosoma japonicum	ko:K06069 atypical protein kinase C, putative	Get druggable targets OG5_131830	All targets in OG5_131830
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	Get druggable targets OG5_131830	All targets in OG5_131830
Plasmodium berghei	cdc2-related kinase 2	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
Schistosoma japonicum	ko:K02087 cyclin-dependent kinase 1, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	protein kinase C3,putative	Get druggable targets OG5_131830	All targets in OG5_131830
Cryptosporidium parvum	Cdc2-like CDK2/CDC28 like 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
Leishmania braziliensis	cell division related protein kinase 2,cdc2-related kinase	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
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
Brugia malayi	cell division control protein 2 homolog	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
Trypanosoma cruzi	cdc2-related kinase 3	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
Trypanosoma congolense	cdc2-related kinase 1, putative	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
Echinococcus multilocularis	cyclin dependent kinase 1	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma japonicum	ko:K02090 cyclin-dependent kinase 5, putative	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
Echinococcus multilocularis	protein kinase c iota type	Get druggable targets OG5_131830	All targets in OG5_131830
Leishmania infantum	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania braziliensis	cell division protein kinase 2,cdc2-related 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
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	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
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	atypical protein kinase C	Get druggable targets OG5_131830	All targets in OG5_131830
Schistosoma mansoni	serine/threonine protein kinase	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
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	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
Schistosoma mansoni	serine/threonine protein 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 cruzi	cdc2-related kinase 1	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
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania infantum	cell division protein kinase 2,cdc2-related kinase	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
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	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
Trypanosoma brucei gambiense	cell division related protein kinase 2, putative,CDC2-related protein kinase	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
Trichomonas vaginalis	CMGC family protein kinase	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
Echinococcus granulosus	protein kinase c iota type	Get druggable targets OG5_131830	All targets in OG5_131830
Leishmania donovani	cdc2-related kinase 3, putative	Get druggable targets OG5_126712	All targets in OG5_126712

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)	galactokinase	0.0144	0.3085	0.5026
Trichomonas vaginalis	glutathione reductase, putative	0.0026	0.0415	0.0579
Trypanosoma brucei	mevalonate-diphosphate decarboxylase	0.0043	0.0812	0.1323
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.1038	0.1691
Loa Loa (eye worm)	hypothetical protein	0.023	0.5033	0.82
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0188	0.4079	0.7067
Trichomonas vaginalis	mevalonate kinase, putative	0.0043	0.0812	0.1232
Echinococcus multilocularis	cyclin dependent kinase 5	0.0053	0.1038	0.1038
Schistosoma mansoni	brg-1 associated factor	0.001	0.007	0.0114
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0475	0.0774
Leishmania major	fucose kinase, putative	0.0043	0.0812	0.1298
Echinococcus multilocularis	Mevalonate galactokinase	0.0102	0.2139	0.2139
Brugia malayi	galactokinase family protein	0.0144	0.3085	0.5026
Trypanosoma cruzi	cdc2-related kinase 1	0.0053	0.1038	0.166
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0026	0.0415	0.0663
Trichomonas vaginalis	AGC family protein kinase	0.0012	0.0101	0.0063
Mycobacterium ulcerans	galactokinase	0.0284	0.6254	1
Echinococcus multilocularis	neuropeptide receptor A26	0.045	1	1
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0895	0.1458
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0169	0.3653	0.5545
Echinococcus granulosus	Protein kinase C brain isozyme	0.0019	0.0266	0.0266
Echinococcus granulosus	thioredoxin glutathione reductase	0.0075	0.1531	0.1531
Trichomonas vaginalis	diphosphomevalonate decarboxylase, putative	0.0043	0.0812	0.1232
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0188	0.4079	0.6274
Toxoplasma gondii	AGC kinase	0.0012	0.0101	0.0103
Trypanosoma cruzi	mevalonate kinase, putative	0.0102	0.2139	0.3421
Trichomonas vaginalis	AGC family protein kinase	0.0012	0.0101	0.0063
Trypanosoma cruzi	galactokinase, putative	0.0241	0.5277	0.8438
Entamoeba histolytica	protein kinase, putative	0.0012	0.0101	0.0162
Echinococcus multilocularis	SWI:SNF matrix associated	0.001	0.007	0.007
Loa Loa (eye worm)	STE/STE11/MEKK2 protein kinase	0.0009	0.0038	0.0062
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0053	0.1038	0.1691
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0812	0.1323
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0026	0.0415	0.0676
Trypanosoma cruzi	phosphomevalonate kinase protein, putative	0.0043	0.0812	0.1298
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0415	0.0663
Schistosoma mansoni	cpg binding protein	0.003	0.0512	0.0834
Mycobacterium tuberculosis	Probable galactokinase GalK (galactose kinase)	0.0284	0.6254	1
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0012	0.0101	0.0101
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0012	0.0101	0.0165
Loa Loa (eye worm)	thioredoxin reductase	0.0074	0.1508	0.2458
Brugia malayi	Protein kinase domain containing protein	0.0009	0.0038	0.0062
Echinococcus multilocularis	cyclin dependent kinase 1	0.0053	0.1038	0.1038
Brugia malayi	Thioredoxin reductase	0.0074	0.1508	0.2458
Echinococcus granulosus	cyclin dependent kinase 1	0.0053	0.1038	0.1038
Trypanosoma cruzi	fucose kinase, putative	0.0059	0.1162	0.1859
Echinococcus multilocularis	cyclin dependent kinase 1	0.0053	0.1038	0.1038
Onchocerca volvulus		0.0047	0.0895	0.1458
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0026	0.0415	0.1126
Echinococcus multilocularis	SWI:SNF matrix associated	0.001	0.007	0.007
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0012	0.0101	0.0101
Brugia malayi	Protein kinase c protein 2	0.0009	0.0038	0.0062
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0012	0.0101	0.0101
Trichomonas vaginalis	AGC family protein kinase	0.0012	0.0101	0.0063
Echinococcus granulosus	transcription factor eb	0.0105	0.2208	0.2208
Echinococcus multilocularis	neuropeptide s receptor	0.045	1	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0033	0.0033
Echinococcus multilocularis	N acetylgalactosamine kinase	0.0144	0.3085	0.3085
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0012	0.0101	0.0165
Treponema pallidum	galactokinase	0.0241	0.5277	0.9687
Trypanosoma brucei	mevalonate diphosphate decarboxylase	0.0043	0.0812	0.1323
Echinococcus multilocularis	SWI:SNF matrix associated	0.001	0.007	0.007
Echinococcus granulosus	NDR protein kinase	0.0012	0.0101	0.0101
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0169	0.3653	0.6145
Plasmodium falciparum	glutathione reductase	0.0026	0.0415	0.1126
Brugia malayi	Protein kinase domain containing protein	0.0012	0.0101	0.0165
Mycobacterium ulcerans	phosphomevalonate kinase	0.0102	0.2139	0.2953
Plasmodium vivax	protein kinase Crk2	0.0053	0.1038	0.3163
Mycobacterium ulcerans	hypothetical protein	0.0109	0.2298	0.3225
Schistosoma mansoni	serine/threonine kinase	0.0012	0.0101	0.0165
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0009	0.0038	0.0062
Loa Loa (eye worm)	glutathione reductase	0.0074	0.1508	0.2458
Echinococcus granulosus	geminin	0.0167	0.3607	0.3607
Brugia malayi	Protein kinase domain containing protein	0.0053	0.1038	0.1691
Brugia malayi	Protein kinase domain containing protein	0.0012	0.0101	0.0165
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0026	0.0415	0.0663
Plasmodium vivax	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative	0.0146	0.313	1
Onchocerca volvulus		0.001	0.007	0.0114
Trypanosoma cruzi	polo-like protein kinase, putative	0.0279	0.6138	0.9814
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0475	0.0774
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.1193	0.1944
Brugia malayi	serine/threonine-protein kinase plk-2	0.0279	0.6138	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0053	0.1038	0.166
Schistosoma mansoni	galactokinase	0.0144	0.3085	0.5026
Entamoeba histolytica	cell division protein kinase 2, putative	0.0053	0.1038	0.166
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0033	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1	0.1629
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0188	0.4079	0.6274
Trypanosoma cruzi	phosphomevalonate kinase protein, putative	0.0043	0.0812	0.1298
Brugia malayi	SWIB/MDM2 domain containing protein	0.001	0.007	0.0114
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0053	0.1038	0.1038
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0026	0.0415	0.0676
Brugia malayi	hypothetical protein	0.023	0.5033	0.82
Trichomonas vaginalis	AGC family protein kinase	0.0012	0.0101	0.0063
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0012	0.0101	0.0165
Echinococcus multilocularis	cpg binding protein	0.003	0.0512	0.0512
Echinococcus granulosus	protein kinase c iota type	0.0119	0.2516	0.2516
Echinococcus granulosus	cyclin dependent kinase 5	0.0053	0.1038	0.1038
Leishmania major	fucose kinase, putative	0.0043	0.0812	0.1298
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0012	0.0101	0.0165
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0012	0.0101	0.0101
Entamoeba histolytica	protein kinase, putative	0.0012	0.0101	0.0162
Schistosoma mansoni	protein kinase C mu	0.0009	0.0038	0.0062
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.1038	0.1605
Trypanosoma cruzi	cdc2-related kinase 1	0.0053	0.1038	0.166
Trypanosoma cruzi	mevalonate-diphosphate decarboxylase, putative	0.0043	0.0812	0.1298
Plasmodium falciparum	thioredoxin reductase	0.0026	0.0415	0.1126
Trypanosoma cruzi	homoserine kinase	0.0102	0.2139	0.3421
Trypanosoma cruzi	mevalonate-diphosphate decarboxylase, putative	0.0043	0.0812	0.1298
Schistosoma mansoni	hypothetical protein	0.001	0.007	0.0114
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0012	0.0101	0.0165
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0012	0.0101	0.0165
Leishmania major	homoserine kinase, putative	0.0102	0.2139	0.3421
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0053	0.1038	0.1691
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0053	0.1038	0.166
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0101	0.0165
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.001	0.007	0.0114
Trichomonas vaginalis	AGC family protein kinase	0.0012	0.0101	0.0063
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0026	0.0415	0.0663
Mycobacterium tuberculosis	Possible D-alpha-D-heptose-7-phosphate kinase HddA	0.0102	0.2139	0.2953
Echinococcus granulosus	cpg binding protein	0.003	0.0512	0.0512
Trypanosoma brucei	cdc2-related kinase 1	0.0053	0.1038	0.1691
Mycobacterium tuberculosis	Probable reductase	0.0169	0.3653	0.5545
Trichomonas vaginalis	galactokinase, putative	0.0059	0.1162	0.181
Mycobacterium leprae	Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase)	0.0248	0.5435	1
Plasmodium falciparum	protein kinase 5	0.0053	0.1038	0.3163
Loa Loa (eye worm)	hypothetical protein	0.0104	0.2196	0.3578
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0266	0.0434
Schistosoma mansoni	hypothetical protein	0.0167	0.3607	0.5877
Loa Loa (eye worm)	brahma associated protein	0.001	0.007	0.0114
Trichomonas vaginalis	AGC family protein kinase	0.0012	0.0101	0.0063
Giardia lamblia	Kinase, CMGC CDK	0.0053	0.1038	0.1089
Schistosoma mansoni	serine/threonine protein kinase	0.0012	0.0101	0.0165
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0169	0.3653	0.5545
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.001	0.007	0.007
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0169	0.3653	0.5545
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0026	0.0415	0.1126
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0266	0.0434
Chlamydia trachomatis	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	0.0189	0.4107	1
Echinococcus multilocularis	protein kinase c iota type	0.0119	0.2516	0.2516
Trypanosoma brucei	polo-like protein kinase	0.0279	0.6138	1
Brugia malayi	Protein kinase domain containing protein	0.0009	0.0038	0.0062
Entamoeba histolytica	protein kinase, putative	0.0012	0.0101	0.0162
Mycobacterium ulcerans	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	0.0248	0.5435	0.8596
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0012	0.0101	0.0101
Brugia malayi	brahma associated protein 60 kDa	0.001	0.007	0.0114
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0105	0.2208	0.3597
Trichomonas vaginalis	galactokinase, putative	0.0043	0.0812	0.1232
Trichomonas vaginalis	mercuric reductase, putative	0.0026	0.0415	0.0579
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0053	0.1038	0.166
Echinococcus granulosus	Mevalonate galactokinase	0.0102	0.2139	0.2139
Trypanosoma brucei	phosphomevalonate kinase protein, putative	0.0102	0.2139	0.3486
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.1038	0.1605
Toxoplasma gondii	GHMP kinase, putative	0.0102	0.2139	0.6864
Echinococcus granulosus	neuropeptide receptor A26	0.045	1	1
Schistosoma mansoni	mevalonate kinase	0.0102	0.2139	0.3486
Giardia lamblia	Mevalonate kinase	0.0102	0.2139	0.3013
Trichomonas vaginalis	CAMK family protein kinase	0.0138	0.2964	0.4775
Schistosoma mansoni	atypical protein kinase C	0.0126	0.2682	0.4369
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.003	0.0049
Trichomonas vaginalis	AGC family protein kinase	0.0012	0.0101	0.0063
Plasmodium vivax	glutathione reductase, putative	0.0074	0.1508	0.4701
Brugia malayi	Protein kinase domain containing protein	0.0012	0.0101	0.0165
Giardia lamblia	Diphosphomevalonate decarboxylase	0.0043	0.0812	0.0694
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0053	0.1038	0.321
Mycobacterium ulcerans	homoserine kinase	0.0102	0.2139	0.2953
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0074	0.1508	0.1873
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0279	0.6138	0.9814
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0009	0.0038	0.0038
Onchocerca volvulus		0.0028	0.0475	0.0774
Giardia lamblia	Kinase, CMGC CDK	0.0053	0.1038	0.1089
Leishmania major	phosphomevalonate kinase protein, putative	0.0102	0.2139	0.3421
Mycobacterium ulcerans	diphosphomevalonate decarboxylase	0.0043	0.0812	0.068
Echinococcus granulosus	serine:threonine protein kinase N2	0.0012	0.0101	0.0101
Trichomonas vaginalis	AGC family protein kinase	0.0012	0.0101	0.0063
Trypanosoma cruzi	galactokinase, putative	0.0284	0.6254	1
Trichomonas vaginalis	galactokinase, putative	0.0144	0.3085	0.4974
Brugia malayi	cell division control protein 2 homolog	0.0053	0.1038	0.1691
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0033	0.0033
Brugia malayi	C1-like domain containing protein	0.0009	0.0038	0.0062
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0012	0.0101	0.0165
Echinococcus multilocularis	survival motor neuron protein 1	0.023	0.5033	0.5033
Brugia malayi	brahma associated protein 60 kDa	0.001	0.007	0.0114
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0012	0.0101	0.0101
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0012	0.0101	0.0101
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0026	0.0415	0.0676
Trypanosoma cruzi	galactokinase, putative	0.0284	0.6254	1
Wolbachia endosymbiont of Brugia malayi	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	0.0248	0.5435	1
Trypanosoma cruzi	cdc2-related kinase 3	0.0053	0.1038	0.166
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0026	0.0415	0.0854
Schistosoma mansoni	hypothetical protein	0.0047	0.0895	0.1458
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0104	0.2196	0.3578
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0116	0.2453	0.3997
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0279	0.6138	1
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0038	0.0062
Treponema pallidum	hypothetical protein	0.0248	0.5435	1
Echinococcus multilocularis	geminin	0.0167	0.3607	0.3607
Trichomonas vaginalis	CAMK family protein kinase	0.0279	0.6138	1
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0019	0.0266	0.0266
Plasmodium falciparum	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative	0.0146	0.313	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0169	0.3653	0.5545
Trypanosoma cruzi	cdc2-related kinase 3	0.0053	0.1038	0.166
Echinococcus granulosus	protein kinase c epsilon type	0.0019	0.0266	0.0266
Brugia malayi	protein kinase C3,putative	0.0109	0.2288	0.3728
Mycobacterium tuberculosis	Probable homoserine kinase ThrB	0.0043	0.0812	0.068
Entamoeba histolytica	protein kinase, putative	0.0012	0.0101	0.0162
Mycobacterium ulcerans	mevalonate kinase, Erg12	0.0102	0.2139	0.2953
Trichomonas vaginalis	CAMK family protein kinase	0.0279	0.6138	1
Trichomonas vaginalis	AGC family protein kinase	0.0012	0.0101	0.0063
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0266	0.0434
Onchocerca volvulus		0.0009	0.0038	0.0062
Trypanosoma cruzi	polo-like protein kinase, putative	0.0279	0.6138	0.9814
Entamoeba histolytica	galactokinase, putative	0.0284	0.6254	1
Trichomonas vaginalis	CAMK family protein kinase	0.0279	0.6138	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0415	0.0663
Trypanosoma cruzi	homoserine kinase	0.0102	0.2139	0.3421
Echinococcus granulosus	diphosphomevalonate decarboxylase	0.0043	0.0812	0.0812
Toxoplasma gondii	thioredoxin reductase	0.0074	0.1508	0.4771
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0169	0.3653	0.5545
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0415	0.0663
Schistosoma mansoni	kinase	0.0142	0.3047	0.4964
Toxoplasma gondii	GHMP kinase, N-terminal domain-containing protein	0.0144	0.3085	1
Trypanosoma brucei	galactokinase-like protein, putative	0.0183	0.3981	0.6486
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.1038	0.1605
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0415	0.0663
Echinococcus multilocularis	galactokinase	0.0284	0.6254	0.6254
Schistosoma mansoni	serine/threonine protein kinase	0.0012	0.0105	0.0172
Brugia malayi	protein kinase C II.	0.0019	0.0266	0.0434
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0026	0.0415	0.1126
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.1038	0.1691
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0026	0.0415	0.0663
Mycobacterium tuberculosis	Probable oxidoreductase	0.0188	0.4079	0.6274
Trichomonas vaginalis	CAMK family protein kinase	0.0279	0.6138	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0026	0.0415	0.0663
Schistosoma mansoni	hypothetical protein	0.001	0.007	0.0114
Trypanosoma brucei	mevalonate kinase, putative	0.0102	0.2139	0.3486
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0012	0.0101	0.0101
Schistosoma mansoni	serine/threonine protein kinase	0.0012	0.0101	0.0165
Schistosoma mansoni	serine/threonine protein kinase	0.0012	0.0101	0.0165
Trichomonas vaginalis	CAMK family protein kinase	0.0279	0.6138	1
Plasmodium falciparum	thioredoxin reductase	0.0074	0.1508	0.4701
Trichomonas vaginalis	galactokinase, putative	0.0144	0.3085	0.4974
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0019	0.0261	0.0425
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0038	0.0062
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0026	0.0415	0.0676
Onchocerca volvulus		0.0043	0.0812	0.1323
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0812	0.1232
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0895	0.1458
Mycobacterium tuberculosis	Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase)	0.0146	0.313	0.465
Leishmania major	mevalonate-diphosphate decarboxylase, putative	0.0043	0.0812	0.1298
Schistosoma mansoni	cpg binding protein	0.0028	0.0475	0.0774
Trypanosoma cruzi	galactokinase-like protein, putative	0.0241	0.5277	0.8438
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0019	0.0261	0.0425
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0019	0.0266	0.0434
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0026	0.0415	0.0676
Echinococcus multilocularis	protein kinase c epsilon type	0.0019	0.0266	0.0266
Trypanosoma cruzi	trypanothione reductase, putative	0.0026	0.0415	0.0663
Schistosoma mansoni	serine/threonine protein kinase	0.0279	0.6138	1
Echinococcus multilocularis	transcription factor eb	0.0105	0.2208	0.2208
Brugia malayi	p70 ribosomal S6 kinase beta	0.0012	0.0101	0.0165
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.1048	0.3244
Brugia malayi	diphosphomevalonate decarboxylase family protein	0.0043	0.0812	0.1323
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0012	0.0101	0.0165
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0279	0.6138	0.6138
Trichomonas vaginalis	galactokinase, putative	0.0144	0.3085	0.4974
Echinococcus granulosus	survival motor neuron protein 1	0.023	0.5033	0.5033
Trypanosoma cruzi	fucose kinase, putative	0.0059	0.1162	0.1859
Brugia malayi	glutathione reductase	0.0074	0.1508	0.2458
Leishmania major	galactokinase-like protein	0.0284	0.6254	1
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0026	0.0415	0.0676
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0012	0.0101	0.0101
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0279	0.6138	0.9814
Schistosoma mansoni	hypothetical protein	0.0167	0.3607	0.5877
Echinococcus granulosus	galactokinase	0.0284	0.6254	0.6254
Trichomonas vaginalis	CAMK family protein kinase	0.0138	0.2964	0.4775
Trypanosoma brucei	cdc2-related kinase 3	0.0053	0.1038	0.1691
Trypanosoma brucei	homoserine kinase	0.0102	0.2139	0.3486
Echinococcus granulosus	protein kinase C gamma type	0.0012	0.0101	0.0101
Echinococcus multilocularis	serine threonine protein kinase	0.0012	0.0101	0.0101
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0026	0.0415	0.0415
Leishmania major	trypanothione reductase	0.0074	0.1508	0.2412
Trichomonas vaginalis	CAMK family protein kinase	0.0279	0.6138	1
Schistosoma mansoni	cpg binding protein	0.003	0.0512	0.0834
Echinococcus multilocularis	diphosphomevalonate decarboxylase	0.0043	0.0812	0.0812
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0026	0.0415	0.0663
Trypanosoma cruzi	trypanothione reductase, putative	0.0074	0.1508	0.2412
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0053	0.1038	0.1691
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0075	0.1531	0.1531
Schistosoma mansoni	hypothetical protein	0.001	0.007	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0102	0.2139	0.3486
Trypanosoma brucei	trypanothione reductase	0.0074	0.1508	0.2458
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0026	0.0415	0.1126
Plasmodium falciparum	glutathione reductase	0.0074	0.1508	0.4701
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0415	0.0663
Echinococcus granulosus	SWI:SNF matrix associated	0.001	0.007	0.007
Schistosoma mansoni	diphosphomevalonate decarboxylase	0.0043	0.0812	0.1323
Brugia malayi	mevalonate kinase family protein	0.0102	0.2139	0.3486
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0009	0.0038	0.0038
Brugia malayi	Hr1 repeat family protein	0.0012	0.0101	0.0165
Echinococcus multilocularis	cyclin dependent kinase	0.0053	0.1038	0.1038
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0026	0.0415	0.0415
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0009	0.0038	0.0062
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0279	0.6138	0.6138
Trichomonas vaginalis	AGC family protein kinase	0.0012	0.0101	0.0063
Echinococcus granulosus	cyclin dependent kinase	0.0053	0.1038	0.1038
Toxoplasma gondii	NADPH-glutathione reductase	0.0026	0.0415	0.1143
Trichomonas vaginalis	galactokinase, putative	0.0144	0.3085	0.4974
Plasmodium vivax	thioredoxin reductase, putative	0.0074	0.1508	0.4701
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0026	0.0415	0.0663
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.001	0.007	0.007
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0279	0.6138	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0026	0.0415	0.1143
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.007	0.0011
Trichomonas vaginalis	CAMK family protein kinase	0.0279	0.6138	1
Trichomonas vaginalis	AGC family protein kinase	0.0012	0.0101	0.0063
Giardia lamblia	Kinase, PLK	0.0279	0.6138	1
Leishmania major	mevalonate kinase, putative	0.0102	0.2139	0.3421
Echinococcus granulosus	N acetylgalactosamine kinase	0.0144	0.3085	0.3085

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 10000 nM	Inhibition of human CDK2	ChEMBL.	19097791
IC50 (binding)	= 13600 nM	Inhibition of human PKCzeta	ChEMBL.	19097791

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: CHEMBL472148

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 972853