TDR Targets

Basic information

Technical information

TDR Targets ID: 1563556
Name: (4S)-2-methyl-4-[[9-propan-2-yl-6-(pyridin-2- ylmethylamino)purin-2-yl]amino]hexan-3-ol
MW: 397.517 | Formula: C21H31N7O
H donors: 3 H acceptors: 5 LogP: 3.52 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CC[C@@H](C(C(C)C)O)Nc1nc(NCc2ccccn2)c2c(n1)n(cn2)C(C)C
InChi: 1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-9-7-8-10-22-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m0/s1
InChiKey: XSIHMBADMZSOSO-ATNAJCNCSA-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

(4S)-4-[[9-isopropyl-6-(2-pyridylmethylamino)purin-2-yl]amino]-2-methyl-hexan-3-ol
(4S)-4-[[9-isopropyl-6-(2-pyridylmethylamino)-2-purinyl]amino]-2-methylhexan-3-ol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cyclin E1	Starlite/ChEMBL	References
Homo sapiens	cyclin-dependent kinase 3		References
Homo sapiens	cyclin H	Starlite/ChEMBL	References
Homo sapiens	cyclin-dependent kinase 7		References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Plasmodium yoelii	cdc2-related kinase 2	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
Leishmania braziliensis	cell division related protein kinase 2,cdc2-related kinase	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
Echinococcus granulosus	cyclin dependent 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
Echinococcus multilocularis	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	cyclin	Get druggable targets OG5_129254	All targets in OG5_129254
Echinococcus granulosus	cyclin dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	cyclin	Get druggable targets OG5_129254	All targets in OG5_129254
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_129254	All targets in OG5_129254
Neospora caninum	CMGC kinase, CDK family TgPK2, putative	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	cyclin dependent kinase 5	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
Brugia malayi	Cyclin, N-terminal domain containing protein	Get druggable targets OG5_129254	All targets in OG5_129254
Echinococcus multilocularis	cyclin dependent kinase 7	Get druggable targets OG5_129224	All targets in OG5_129224
Leishmania donovani	cdc2-related kinase 3, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	CMGC/CDK/CDK7 protein kinase	Get druggable targets OG5_129224	All targets in OG5_129224
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
Trypanosoma brucei gambiense	cell division related protein kinase 2, putative,CDC2-related protein kinase	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 infantum	cell division related protein kinase 2,cdc2-related kinase	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
Leishmania infantum	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
Brugia malayi	cyclin-dependent kinase 7 homolog	Get druggable targets OG5_129224	All targets in OG5_129224
Cryptosporidium parvum	cyclin domain protein, possible cyclin H	Get druggable targets OG5_129254	All targets in OG5_129254
Entamoeba histolytica	cell division protein kinase 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium berghei	cdc2-related kinase 2	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
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
Trypanosoma congolense	cdc2-related kinase 1, putative	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
Candida albicans	Serine-threonine kinase, subunit of RNA Pol TFIIK.	Get druggable targets OG5_129224	All targets in OG5_129224
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	Cyclin, N-terminal domain containing protein	Get druggable targets OG5_133273	All targets in OG5_133273
Theileria parva	cell division control protein 2 related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129224	All targets in OG5_129224
Leishmania donovani	cell division protein kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	Serine-threonine kinase, subunit of RNA Pol TFIIK.	Get druggable targets OG5_129224	All targets in OG5_129224
Cryptosporidium hominis	cdc2-like protein kinase	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 1	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
Trypanosoma brucei	cdc2-related kinase 1	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
Schistosoma japonicum	ko:K02090 cyclin-dependent kinase 5, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	cyclin domain-containing protein	Get druggable targets OG5_129254	All targets in OG5_129254
Trypanosoma cruzi	cdc2-related kinase 3	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 major	cell division protein kinase 2,cdc2-related 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
Trichomonas vaginalis	CMGC family 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
Echinococcus multilocularis	cyclin dependent kinase 5	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
Entamoeba histolytica	cell division protein kinase 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129224	All targets in OG5_129224
Leishmania major	cell division related 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
Trypanosoma brucei	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	cyclin domain-containing protein	Get druggable targets OG5_133273	All targets in OG5_133273
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 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
Echinococcus granulosus	cyclin dependent kinase 7	Get druggable targets OG5_129224	All targets in OG5_129224
Trichomonas vaginalis	CMGC family 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
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma japonicum	expressed protein	Get druggable targets OG5_129224	All targets in OG5_129224
Leishmania mexicana	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_129254	All targets in OG5_129254
Trichomonas vaginalis	cyclin H, putative	Get druggable targets OG5_129254	All targets in OG5_129254
Brugia malayi	cell division control protein 2 homolog	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 %
Trypanosoma brucei	mitogen-activated protein kinase 5	cyclin-dependent kinase 7	346 aa	311 aa	32.5 %
Plasmodium falciparum	cyclin	cyclin H	270 aa	253 aa	22.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0059	0.0323	0.0745
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0033	0.0097	0.2473
Echinococcus granulosus	cyclins	0.0027	0.004	0.0072
Schistosoma mansoni	hypothetical protein	0.0104	0.0718	0.1732
Loa Loa (eye worm)	CMGC/CDK/CDK7 protein kinase	0.0094	0.063	0.063
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.012	0.0867	0.1513
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0027	0.004	0.004
Schistosoma mansoni	cyclin B3	0.0027	0.004	0.0039
Echinococcus granulosus	GPCR family 3 C terminal	0.0043	0.0183	0.0328
Trichomonas vaginalis	ran, putative	0.0033	0.0097	0.0353
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0053	0.027	0.044
Giardia lamblia	Kinase, CMGC CDK	0.0053	0.027	1
Trypanosoma cruzi	hypothetical protein, conserved	0.012	0.0867	0.1513
Schistosoma mansoni	hypothetical protein	0.0059	0.0323	0.0745
Trichomonas vaginalis	cyclin H, putative	0.0077	0.048	0.2735
Entamoeba histolytica	hypothetical protein	0.0036	0.0126	0.2239
Schistosoma mansoni	metabotropic glutamate receptor	0.0221	0.1756	0.4322
Trypanosoma cruzi	hypothetical protein, conserved	0.012	0.0867	0.1513
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.012	0.0867	0.1513
Brugia malayi	Choline O-acetyltransferase	0.012	0.0867	0.0867
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0033	0.0097	0.013
Trypanosoma brucei	cdc2-related kinase 3	0.0053	0.027	0.0779
Echinococcus granulosus	cyclin dependent kinase 5	0.0053	0.027	0.0482
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.012	0.0867	0.1513
Echinococcus granulosus	cyclin dependent kinase 7	0.0094	0.063	0.1127
Echinococcus multilocularis	cyclins	0.0027	0.004	0.0072
Trypanosoma cruzi	hypothetical protein, conserved	0.012	0.0867	0.1513
Schistosoma mansoni	hypothetical protein	0.0043	0.0183	0.0397
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0028	0.0052	0.0069
Echinococcus multilocularis	cyclins	0.0027	0.004	0.0072
Leishmania major	GTP-binding protein, putative	0.0033	0.0097	0.013
Schistosoma mansoni	hypothetical protein	0.0479	0.4031	1
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0325	0.2672	0.4777
Leishmania major	importin beta-1 subunit, putative	0.0036	0.0126	0.0183
Trypanosoma cruzi	cyclin 6, putative	0.0027	0.004	0.0028
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.012	0.0867	0.0867
Onchocerca volvulus		0.012	0.0867	0.9326
Entamoeba histolytica	cell division protein kinase 2, putative	0.0053	0.027	0.5383
Schistosoma mansoni	cyclins	0.0027	0.004	0.0039
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0068	0.0402	0.0402
Loa Loa (eye worm)	glutaminase 2	0.0209	0.1649	0.1649
Echinococcus multilocularis	cyclins	0.0027	0.004	0.0072
Echinococcus multilocularis	glutamate receptor 2	0.0025	0.0024	0.0044
Loa Loa (eye worm)	cyclin domain-containing protein	0.0169	0.1291	0.1291
Entamoeba histolytica	cyclin, putative	0.0027	0.004	0.0341
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.063	0.1512
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0053	0.027	0.027
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.012	0.0867	0.1513
Entamoeba histolytica	hypothetical protein	0.0077	0.048	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0186	0.1441	0.1441
Echinococcus multilocularis	cyclin dependent kinase 7	0.0094	0.063	0.1127
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0053	0.027	0.044
Echinococcus multilocularis	short transient receptor potential channel 6	0.0039	0.0151	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0027	0.004	0.004
Echinococcus granulosus	transient receptor potential ion channel A	0.0057	0.0311	0.0556
Trypanosoma cruzi	hypothetical protein, conserved	0.012	0.0867	0.1513
Entamoeba histolytica	cell division protein kinase 2, putative	0.0053	0.027	0.5383
Schistosoma mansoni	aldehyde dehydrogenase	0.0037	0.0133	0.027
Trypanosoma cruzi	cdc2-related kinase 1	0.0053	0.027	0.044
Loa Loa (eye worm)	hypothetical protein	0.0361	0.2988	0.2988
Brugia malayi	hypothetical protein	0.0025	0.0024	0.0024
Echinococcus granulosus	cyclins	0.0027	0.004	0.0072
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0028	0.0052	0.0069
Entamoeba histolytica	cyclin, putative	0.0027	0.004	0.0341
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0186	0.1441	0.1441
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0025	0.0024	0.0044
Echinococcus granulosus	oligomeric golgi complex subunit 3	0.0092	0.0617	0.1102
Trichomonas vaginalis	glutaminase, putative	0.0209	0.1649	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0201	0.0201
Echinococcus multilocularis	cyclin b3	0.0027	0.004	0.0072
Echinococcus multilocularis	short transient receptor potential channel 6	0.0039	0.0151	0.0271
Echinococcus granulosus	cyclin	0.0092	0.0617	0.1102
Brugia malayi	latrophilin 2 splice variant baaae	0.0127	0.0923	0.0923
Trypanosoma brucei	importin beta-1 subunit, putative	0.0045	0.0201	0.0547
Echinococcus granulosus	tyrosine kinase	0.0025	0.0024	0.0044
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.03	0.2453	0.6062
Echinococcus granulosus	cyclin dependent kinase	0.0053	0.027	0.0482
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0028	0.0052	0.0093
Loa Loa (eye worm)	choline O-acetyltransferase	0.012	0.0867	0.0867
Schistosoma mansoni	metabotropic glutamate receptor	0.0129	0.0941	0.2286
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0295	0.241	0.241
Trypanosoma cruzi	cdc2-related kinase 3	0.0053	0.027	0.044
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0033	0.0097	0.013
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0169	0.1291	0.1291
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.012	0.0867	0.155
Brugia malayi	Receptor family ligand binding region containing protein	0.0025	0.0024	0.0024
Schistosoma mansoni	choline o-acyltransferase	0.012	0.0867	0.2103
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.027	0.1428
Echinococcus multilocularis	cyclin B3 1	0.0027	0.004	0.0072
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0027	0.004	0.0028
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0657	0.5595	1
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0025	0.0024	0.0044
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.012	0.0867	0.155
Trypanosoma brucei	hypothetical protein, conserved	0.012	0.0867	0.2806
Schistosoma mansoni	choline o-acyltransferase	0.012	0.0867	0.2103
Schistosoma mansoni	transient receptor potential channel 4	0.0059	0.0328	0.0759
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0037	0.0133	0.0194
Trichomonas vaginalis	importin beta-1, putative	0.0036	0.0126	0.0537
Echinococcus granulosus	cyclin b3	0.0027	0.004	0.0072
Trypanosoma cruzi	cyclin, putative	0.0027	0.004	0.0028
Schistosoma mansoni	cyclin B	0.0027	0.004	0.0039
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0025	0.0024	0.0044
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0028	0.0052	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0024	0.0024
Brugia malayi	Latrophilin receptor protein 2	0.0059	0.0323	0.0323
Schistosoma mansoni	importin beta-1	0.0045	0.0201	0.0441
Schistosoma mansoni	hypothetical protein	0.0059	0.0323	0.0745
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0025	0.0024	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0024	0.0024
Echinococcus multilocularis	nmda type glutamate receptor	0.0025	0.0024	0.0044
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.012	0.0867	0.0867
Loa Loa (eye worm)	cyclin domain-containing protein	0.0027	0.004	0.004
Echinococcus granulosus	geminin	0.0104	0.0718	0.1284
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.027	0.0612
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0027	0.004	0.004
Plasmodium falciparum	importin beta, putative	0.0045	0.0201	0.7023
Schistosoma mansoni	glutaminase	0.0209	0.1649	0.4053
Entamoeba histolytica	cyclin family protein	0.0027	0.004	0.0341
Echinococcus multilocularis	cyclin B	0.0027	0.004	0.0072
Echinococcus multilocularis	geminin	0.0104	0.0718	0.1284
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.0657	0.5595	1
Loa Loa (eye worm)	hypothetical protein	0.0186	0.1441	0.1441
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0923	0.0923
Schistosoma mansoni	hypothetical protein	0.0127	0.0923	0.2244
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.0657	0.5595	1
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0239	0.1915	0.1915
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0186	0.1441	0.1441
Brugia malayi	glutaminase DH11.1	0.0209	0.1649	0.1649
Plasmodium falciparum	protein kinase 5	0.0053	0.027	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0024	0.0024
Entamoeba histolytica	Ran family GTPase	0.0033	0.0097	0.1588
Echinococcus multilocularis	tyrosine kinase	0.0025	0.0024	0.0044
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.012	0.0867	0.2806
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0657	0.5595	1
Echinococcus granulosus	cyclin B	0.0027	0.004	0.0072
Echinococcus granulosus	snurportin 1	0.0479	0.4031	0.7206
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.0657	0.5595	1
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0325	0.2672	0.4777
Loa Loa (eye worm)	hypothetical protein	0.0052	0.026	0.026
Onchocerca volvulus		0.0027	0.004	0.0172
Schistosoma mansoni	g1/s-specific cyclin C	0.0092	0.0617	0.1478
Echinococcus multilocularis	snurportin 1	0.0479	0.4031	0.7206
Loa Loa (eye worm)	hypothetical protein	0.0027	0.004	0.004
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0025	0.0024	0.0024
Trypanosoma cruzi	cdc2-related kinase 3	0.0053	0.027	0.044
Brugia malayi	Cyclin C	0.0092	0.0617	0.0617
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0361	0.2988	1
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0025	0.0024	0.0044
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.063	0.1512
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0221	0.1756	0.3139
Echinococcus granulosus	GPCR family 2	0.0059	0.0323	0.0577
Loa Loa (eye worm)	glutaminase	0.0209	0.1649	0.1649
Echinococcus multilocularis	cyclins	0.0027	0.004	0.0072
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.012	0.0867	0.2806
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0361	0.2988	0.2988
Onchocerca volvulus	Poor gastrulation protein homolog	0.0043	0.0183	0.176
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0024	0.0024
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0037	0.0133	0.0237
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0059	0.0323	0.0577
Brugia malayi	Guanylyl cyclase protein 23	0.0025	0.0024	0.0024
Onchocerca volvulus		0.012	0.0867	0.9326
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0025	0.0024	0.0024
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0033	0.0097	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0183	0.0183
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0043	0.0183	0.0183
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0027	0.004	0.0072
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0027	0.004	0.0072
Plasmodium vivax	protein kinase Crk2	0.0053	0.027	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0056	0.0302	1
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0361	0.2988	0.5321
Entamoeba histolytica	cyclin family protein	0.0027	0.004	0.0341
Schistosoma mansoni	transient receptor potential channel	0.0039	0.0151	0.0317
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0059	0.0323	0.0323
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0025	0.0024	0.0024
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0053	0.027	0.0482
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.027	0.1428
Schistosoma mansoni	hypothetical protein	0.0059	0.0323	0.0745
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1432	0.1432
Brugia malayi	Receptor family ligand binding region containing protein	0.0068	0.0402	0.0402
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0025	0.0024	0.0024
Echinococcus multilocularis	transient receptor potential gamma protein	0.0059	0.0328	0.0587
Brugia malayi	metabotropic glutamate receptor type 2	0.0129	0.0941	0.0941
Echinococcus multilocularis	importin subunit beta 1	0.0045	0.0201	0.036
Leishmania major	C-8 sterol isomerase-like protein	0.0361	0.2988	0.5321
Schistosoma mansoni	transient receptor potential channel	0.0059	0.0328	0.0759
Echinococcus multilocularis	GPCR, family 3, C terminal	0.0043	0.0183	0.0328
Echinococcus granulosus	short transient receptor potential channel 6	0.0039	0.0151	0.0271
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.027	0.1428
Echinococcus multilocularis	oligomeric golgi complex subunit 3	0.0092	0.0617	0.1102
Echinococcus granulosus	receptor type guanylyl cyclase	0.0025	0.0024	0.0044
Leishmania major	cyclin	0.0027	0.004	0.0028
Echinococcus multilocularis	cyclin	0.0092	0.0617	0.1102
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0033	0.0097	0.2473
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0928	0.0928
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0036	0.0126	0.0183
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0053	0.027	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0028	0.0052	0.0052
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.012	0.0867	0.1513
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0028	0.0052	0.0093
Trypanosoma cruzi	cdc2-related kinase 1	0.0053	0.027	0.044
Echinococcus multilocularis	choline O acetyltransferase	0.012	0.0867	0.155
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0037	0.0133	0.0237
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0053	0.027	0.027
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0025	0.0024	0.0044
Echinococcus multilocularis	cyclin dependent kinase 1	0.0053	0.027	0.0482
Toxoplasma gondii	HEAT repeat-containing protein	0.0045	0.0201	0.6045
Echinococcus granulosus	cyclins	0.0027	0.004	0.0072
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.012	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0402	0.0402
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0028	0.0052	0.0069
Trypanosoma brucei	cdc2-related kinase 1	0.0053	0.027	0.0779
Trypanosoma cruzi	hypothetical protein, conserved	0.012	0.0867	0.1513
Echinococcus granulosus	importin subunit beta 1	0.0045	0.0201	0.036
Echinococcus granulosus	cyclins	0.0027	0.004	0.0072
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.012	0.0867	0.2806
Schistosoma mansoni	ran	0.0033	0.0097	0.0181
Plasmodium vivax	importin-beta 2, putative	0.0045	0.0201	0.6045
Mycobacterium ulcerans	glutaminase	0.0209	0.1649	1
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0068	0.0402	0.0402
Leishmania major	carnitine palmitoyltransferase-like protein	0.012	0.0867	0.1513
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0059	0.0323	0.0577
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0036	0.0126	0.0537
Echinococcus multilocularis	cyclins	0.0027	0.004	0.0072
Echinococcus multilocularis	transient receptor potential ion channel A	0.0057	0.0311	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0328	0.0328
Echinococcus multilocularis	cyclin dependent kinase 5	0.0053	0.027	0.0482
Echinococcus granulosus	choline O acetyltransferase	0.012	0.0867	0.155
Trypanosoma cruzi	cyclin, putative	0.0027	0.004	0.0028
Brugia malayi	Choline O-acetyltransferase	0.012	0.0867	0.0867
Echinococcus multilocularis	cyclins	0.0027	0.004	0.0072
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0059	0.0323	0.0577
Echinococcus granulosus	glutamate receptor 2	0.0025	0.0024	0.0044
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.012	0.0867	0.1513
Echinococcus granulosus	transient receptor potential gamma protein	0.0059	0.0328	0.0587
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0027	0.004	0.0028
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0059	0.0323	0.0323
Echinococcus granulosus	nmda type glutamate receptor	0.0025	0.0024	0.0044
Loa Loa (eye worm)	hypothetical protein	0.012	0.0867	0.0867
Schistosoma mansoni	aldehyde dehydrogenase	0.0037	0.0133	0.027
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0025	0.0024	0.0044
Brugia malayi	RNA, U transporter 1	0.0128	0.0931	0.0931
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0264	0.2134	0.2134
Onchocerca volvulus		0.012	0.0867	0.9326
Brugia malayi	hypothetical protein	0.0127	0.0928	0.0928
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0025	0.0024	0.0044
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0027	0.004	0.004
Loa Loa (eye worm)	glutamate receptor	0.0264	0.2134	0.2134
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0028	0.0052	0.0052
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0025	0.0024	0.0044
Echinococcus multilocularis	cyclin dependent kinase	0.0053	0.027	0.0482
Loa Loa (eye worm)	hypothetical protein	0.1156	1	1
Echinococcus granulosus	cyclins	0.0027	0.004	0.0072
Echinococcus multilocularis	glutamate receptor 2	0.0025	0.0024	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0024	0.0024
Onchocerca volvulus	Metabotropic glutamate receptor homolog	0.0043	0.0183	0.176
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.027	0.0612
Giardia lamblia	Kinase, CMGC CDK	0.0053	0.027	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0323	0.0323
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0033	0.0097	0.0193
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.012	0.0867	0.0867
Echinococcus granulosus	glutamate receptor 2	0.0025	0.0024	0.0044
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0094	0.063	0.063
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0221	0.1756	0.3139
Toxoplasma gondii	aldehyde dehydrogenase	0.0037	0.0133	0.2071
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0033	0.0097	0.0173
Leishmania major	carnitine/choline acetyltransferase, putative	0.012	0.0867	0.1513
Brugia malayi	cell division control protein 2 homolog	0.0053	0.027	0.027
Brugia malayi	Protein kinase domain containing protein	0.0053	0.027	0.027
Echinococcus granulosus	short transient receptor potential channel 6	0.0039	0.0151	0.0271
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0036	0.0126	0.0537
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0033	0.0097	0.0097
Onchocerca volvulus		0.0127	0.0928	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0053	0.027	0.0482
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0025	0.0024	0.0044
Loa Loa (eye worm)	cyclin domain-containing protein	0.0295	0.241	0.241
Loa Loa (eye worm)	hypothetical protein	0.0325	0.2672	0.2672
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0479	0.4031	0.4031
Echinococcus multilocularis	cyclins	0.0027	0.004	0.0072
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0053	0.027	0.027
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0033	0.0097	0.0097
Loa Loa (eye worm)	cyclin C	0.0092	0.0617	0.0617
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.012	0.0867	0.2806
Schistosoma mansoni	transient receptor potential channel	0.0039	0.0151	0.0317
Echinococcus granulosus	cyclin B3 1	0.0027	0.004	0.0072
Loa Loa (eye worm)	glutamate receptor	0.0104	0.0722	0.0722
Trypanosoma brucei	importin beta-1 subunit, putative	0.0045	0.0201	0.0547
Schistosoma mansoni	hypothetical protein	0.0104	0.0718	0.1732
Onchocerca volvulus		0.012	0.0867	0.9326
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0059	0.0323	0.0577
Echinococcus granulosus	cyclin dependent kinase 1	0.0053	0.027	0.0482
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0025	0.0024	0.0044
Schistosoma mansoni	ran	0.0033	0.0097	0.0181
Brugia malayi	Importin beta-1 subunit	0.0045	0.0201	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0024	0.0024
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0028	0.0052	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0024	0.0024
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0025	0.0024	0.0024
Echinococcus multilocularis	GPCR, family 2	0.0059	0.0323	0.0577

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)	= 23 %	Metabolic stability in mouse liver microsomes assessed as compound metabolized at 10 uM after 30 mins by LC-MS analysis	ChEMBL.	21982796
GI50 (functional)	= 35 uM	Growth inhibition of cisplatin-susceptible human A2780 cells after 96 hrs by sulforhodamine B assay	ChEMBL.	21982796
GI50 (functional)	> 50 uM	Growth inhibition of cisplatin-resistant human A2780 cells after 96 hrs by sulforhodamine B assay	ChEMBL.	21982796
GI50 (functional)	> 50 uM	Growth inhibition of doxorubicin-susceptible human CH1 cells after 96 hrs by sulforhodamine B assay	ChEMBL.	21982796
GI50 (functional)	> 50 uM	Growth inhibition of doxorubicin-resistant human CH1 cells after 96 hrs by sulforhodamine B assay	ChEMBL.	21982796
GI50 (functional)	> 50 uM	Growth inhibition of human HCT116 cells after 96 hrs by sulforhodamine B assay	ChEMBL.	21982796
GI50 (functional)	> 50 uM	Growth inhibition of human HT-29 cells after 96 hrs by sulforhodamine B assay	ChEMBL.	21982796
GI50 (functional)	> 50 uM	Growth inhibition of human KM12 cells after 96 hrs by sulforhodamine B assay	ChEMBL.	21982796
IC50 (binding)	= 3.1 uM	Inhibition of CDK2/cyclin E	ChEMBL.	21982796
IC50 (binding)	= 3.3 uM	Inhibition of CDK7/cyclin H	ChEMBL.	21982796
IC50 (binding)	= 49 uM	Inhibition of CDK4/cyclin D1	ChEMBL.	21982796
IC50 (binding)	= 200 uM	Inhibition of CDK1/cyclin B	ChEMBL.	21982796
IC50 (binding)	> 200 uM	Inhibition of ERK2	ChEMBL.	21982796

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: CHEMBL1922206

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1563556