TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 389.47 | Formula: C22H19N3O2S
H donors: 0 H acceptors: 2 LogP: 5.01 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN(c1ncnc2c1cc(cc2)c1ccc2c(c1)OCO2)Cc1sccc1C
InChi: 1S/C22H19N3O2S/c1-14-7-8-28-21(14)11-25(2)22-17-9-15(3-5-18(17)23-12-24-22)16-4-6-19-20(10-16)27-13-26-19/h3-10,12H,11,13H2,1-2H3
InChiKey: MNTINTDTQABOKE-UHFFFAOYSA-N

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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	CDC-like kinase 3	Starlite/ChEMBL	References
Homo sapiens	CDC-like kinase 1	Starlite/ChEMBL	References
Homo sapiens	CDC-like kinase 4	Starlite/ChEMBL	References
Homo sapiens	dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A	Starlite/ChEMBL	References
Homo sapiens	dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1B	Starlite/ChEMBL	References
Homo sapiens	CDC-like kinase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126990	All targets in OG5_126990
Echinococcus granulosus	hypothetical protein	Get druggable targets OG5_126990	All targets in OG5_126990
Schistosoma japonicum	Serine/threonine-protein kinase Doa, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Candida albicans	Serine/threonine protein kinase	Get druggable targets OG5_126990	All targets in OG5_126990
Schistosoma japonicum	Serine/threonine-protein kinase minibrain, putative	Get druggable targets OG5_127901	All targets in OG5_127901
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Schistosoma japonicum	expressed protein	Get druggable targets OG5_126990	All targets in OG5_126990
Leishmania major	protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma congolense	kinetoplastid kinetochore protein 10, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	Get druggable targets OG5_127901	All targets in OG5_127901
Leishmania mexicana		Get druggable targets OG5_126990	All targets in OG5_126990
Echinococcus granulosus	dual specificity	Get druggable targets OG5_127901	All targets in OG5_127901
Theileria parva	serine/threonine protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Loa Loa (eye worm)	CMGC/CLK protein kinase	Get druggable targets OG5_126990	All targets in OG5_126990
Plasmodium knowlesi	serine/threonine kinase-1, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Leishmania braziliensis	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_127901	All targets in OG5_127901
Babesia bovis	protein serine/threonine kinase 1	Get druggable targets OG5_126990	All targets in OG5_126990
Plasmodium berghei	serine/threonine kinase-1, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma brucei gambiense	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_127901	All targets in OG5_127901
Leishmania braziliensis	protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma brucei	kinetoplastid kinetochore protein 19	Get druggable targets OG5_126990	All targets in OG5_126990
Plasmodium vivax	serine/threonine kinase-1, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_127901	All targets in OG5_127901
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	Get druggable targets OG5_127901	All targets in OG5_127901
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127901	All targets in OG5_127901
Trypanosoma congolense	kinetoplastid kinetochore protein, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_127901	All targets in OG5_127901
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma brucei	kinetoplastid kinetochore protein 10	Get druggable targets OG5_126990	All targets in OG5_126990
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126990	All targets in OG5_126990
Cryptosporidium hominis	serine/threonine kinase-1	Get druggable targets OG5_126990	All targets in OG5_126990
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_127901	All targets in OG5_127901
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	Get druggable targets OG5_127901	All targets in OG5_127901
Leishmania infantum	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_127901	All targets in OG5_127901
Leishmania mexicana	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_127901	All targets in OG5_127901
Echinococcus multilocularis		Get druggable targets OG5_126990	All targets in OG5_126990
Leishmania donovani	serine/threonine-protein kinase, putative	Get druggable targets OG5_127901	All targets in OG5_127901
Cryptosporidium parvum	serine/threonine kinase-1	Get druggable targets OG5_126990	All targets in OG5_126990
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_127901	All targets in OG5_127901
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127901	All targets in OG5_127901
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	Get druggable targets OG5_127901	All targets in OG5_127901
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127901	All targets in OG5_127901
Trypanosoma congolense	serine/threonine-protein kinase, putative	Get druggable targets OG5_127901	All targets in OG5_127901
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma congolense	kinetoplastid kinetochore protein, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Leishmania mexicana	protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Schistosoma japonicum	ko:K08823 CDC-like kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Giardia lamblia	Kinase, CMGC CLK	Get druggable targets OG5_126990	All targets in OG5_126990
Neospora caninum	hypothetical protein	Get druggable targets OG5_126990	All targets in OG5_126990
Candida albicans	Serine/threonine protein kinase	Get druggable targets OG5_126990	All targets in OG5_126990
Echinococcus multilocularis	dual specificity protein kinase clk2	Get druggable targets OG5_126990	All targets in OG5_126990
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127901	All targets in OG5_127901
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127901	All targets in OG5_127901
Leishmania infantum	protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Leishmania major	protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma brucei gambiense	protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Plasmodium falciparum	protein serine/threonine kinase-1	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma congolense	serine/threonine-protein kinase, putative	Get druggable targets OG5_127901	All targets in OG5_127901
Echinococcus granulosus	dual specificity protein kinase clk2	Get druggable targets OG5_126990	All targets in OG5_126990
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_126990	All targets in OG5_126990
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Plasmodium yoelii	protein serine/threonine kinase-1	Get druggable targets OG5_126990	All targets in OG5_126990
Leishmania infantum	protein kinase, putative	Get druggable targets OG5_126990	All targets in OG5_126990
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127901	All targets in OG5_127901
Echinococcus multilocularis	dual specificity	Get druggable targets OG5_127901	All targets in OG5_127901

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.004	0.0111	0.0092
Brugia malayi	Niemann-Pick C1 protein precursor	0.0097	0.0955	0.2426
Giardia lamblia	Fructose-bisphosphate aldolase	0.0331	0.4445	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0063	0.0455	0.0455
Leishmania major	protein kinase, putative	0.0293	0.3879	0.8821
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0218	0.2757	0.647
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.4445	1
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0223	0.2836	0.2823
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.4445	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0098	0.0978	0.0961
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0855	0.0838
Echinococcus granulosus	Niemann Pick C1 protein	0.0138	0.1573	0.1573
Loa Loa (eye worm)	hypothetical protein	0.0122	0.1332	0.3402
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0223	0.2836	0.2836
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0165	0.1966	1
Echinococcus multilocularis	expressed conserved protein	0.0091	0.0868	0.0851
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0236	0.3025	0.7788
Loa Loa (eye worm)	hypothetical protein	0.02	0.2486	0.639
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0019	0.0019
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0855	0.0838
Onchocerca volvulus	Huntingtin homolog	0.0122	0.1332	0.3761
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0218	0.2757	0.4241
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0218	0.2757	0.7092
Trichomonas vaginalis	set domain proteins, putative	0.0268	0.351	0.7833
Schistosoma mansoni	hypothetical protein	0.0063	0.0455	0.0437
Brugia malayi	CHE-14 protein	0.0042	0.0133	0.0297
Schistosoma mansoni	hypothetical protein	0.0136	0.1546	0.153
Echinococcus granulosus	expressed conserved protein	0.0091	0.0868	0.0868
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0293	0.3879	0.9277
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0067	0.0507	0.0507
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.02	0.2486	0.639
Loa Loa (eye worm)	hypothetical protein	0.0122	0.1332	0.3402
Schistosoma mansoni	hypothetical protein	0.0063	0.0455	0.0437
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.009	0.0855	0.2167
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0133	0.0133
Schistosoma mansoni	hypothetical protein	0.004	0.0111	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1546	0.3956
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0855	0.0855
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0313	0.4168	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0097	0.0955	0.0938
Brugia malayi	latrophilin 2 splice variant baaae	0.0136	0.1546	0.3956
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0223	0.2836	0.2823
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.02	0.2486	0.639
Schistosoma mansoni	hypothetical protein	0.0036	0.0049	0.003
Schistosoma mansoni	hypothetical protein	0.004	0.0111	0.0092
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.009	0.0855	0.2167
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0313	0.4168	1
Echinococcus multilocularis	protein patched	0.0042	0.0133	0.0115
Entamoeba histolytica	protein kinase domain containing protein	0.0218	0.2757	0.6161
Schistosoma mansoni	microtubule-associated protein tau	0.0704	1	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0097	0.0955	0.2063
Schistosoma mansoni	serine/threonine protein kinase	0.0218	0.2757	0.2743
Brugia malayi	hypothetical protein	0.0036	0.0049	0.0078
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0218	0.2757	0.647
Plasmodium falciparum	protein serine/threonine kinase-1	0.0293	0.3879	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.4445	1
Loa Loa (eye worm)	hypothetical protein	0.029	0.383	0.9871
Echinococcus multilocularis	dual specificity	0.0218	0.2757	0.2743
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0148	0.1717	0.3871
Schistosoma mansoni	thyroid hormone receptor	0.0139	0.1581	0.1566
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.4445	1
Brugia malayi	Protein kinase domain containing protein	0.0293	0.3879	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0063	0.0455	0.1131
Onchocerca volvulus	Huntingtin homolog	0.0122	0.1332	0.3761
Loa Loa (eye worm)	jmjC domain-containing protein	0.0067	0.0507	0.1265
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.4445	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0133	0.0297
Entamoeba histolytica	hypothetical protein	0.0218	0.2757	0.6161
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0223	0.2836	0.7297
Brugia malayi	Latrophilin receptor protein 2	0.0063	0.0455	0.1131
Schistosoma mansoni	serine/threonine protein kinase	0.0293	0.3879	0.3868
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0293	0.3879	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0133	0.0115
Echinococcus multilocularis	protein dispatched 1	0.0047	0.022	0.0202
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0133	0.0133
Brugia malayi	Calcitonin receptor-like protein seb-1	0.02	0.2486	0.639
Loa Loa (eye worm)	hypothetical protein	0.0214	0.2707	0.6963
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0139	0.1581	0.1566
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0067	0.0507	0.0489
Schistosoma mansoni	jumonji domain containing protein	0.0067	0.0507	0.0489
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0049	0.003
Brugia malayi	jmjC domain containing protein	0.0067	0.0507	0.1265
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0293	0.3879	0.9277
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0148	0.1717	0.3871
Brugia malayi	hypothetical protein	0.0103	0.1042	0.265
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0855	0.0838
Echinococcus granulosus	dual specificity protein kinase clk2	0.0293	0.3879	0.3879
Echinococcus multilocularis	microtubule associated protein 2	0.0704	1	1
Echinococcus multilocularis	GPCR, family 2	0.0063	0.0455	0.0437
Echinococcus granulosus	GPCR family 2	0.0063	0.0455	0.0455
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0293	0.3879	1
Echinococcus granulosus	hypothetical protein	0.029	0.383	0.383
Brugia malayi	jmjC domain containing protein	0.0067	0.0507	0.1265
Entamoeba histolytica	protein kinase, putative	0.0218	0.2757	0.6161
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0063	0.0455	0.0437
Toxoplasma gondii	hypothetical protein	0.005	0.0266	0.064
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0133	0.0297
Echinococcus granulosus	lysine specific demethylase 5A	0.0067	0.0507	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0455	0.1131
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0067	0.0507	0.0489
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0272	0.0657
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0293	0.3879	0.9277
Echinococcus multilocularis		0.029	0.383	0.3818
Schistosoma mansoni	serine/threonine protein kinase	0.0293	0.3879	0.3868
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0049	0.0049
Leishmania major	protein kinase, putative	0.0293	0.3879	0.8821
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0855	0.0838
Echinococcus granulosus	Niemann Pick C1 protein	0.0097	0.0955	0.0955
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0067	0.0507	0.0489
Treponema pallidum	fructose-bisphosphate aldolase	0.0331	0.4445	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0049	0.003
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0331	0.4445	1
Brugia malayi	hypothetical protein	0.0122	0.1332	0.3402
Schistosoma mansoni	thyroid hormone receptor	0.0139	0.1581	0.1566
Schistosoma mansoni	patched 1	0.0042	0.0133	0.0115
Entamoeba histolytica	protein kinase, putative	0.0218	0.2757	0.6161
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0218	0.2757	0.647
Plasmodium vivax	serine/threonine kinase-1, putative	0.0293	0.3879	1
Trichomonas vaginalis	CMGC family protein kinase	0.0293	0.3879	0.8689
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0855	0.0855
Echinococcus multilocularis	Niemann Pick C1 protein	0.0138	0.1573	0.1558
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0293	0.3879	0.9277
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0331	0.4445	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0855	0.0838
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0955	0.2426
Brugia malayi	Protein kinase domain containing protein	0.0218	0.2757	0.7092
Mycobacterium ulcerans	hypothetical protein	0.0165	0.1966	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0162	0.1923	0.5
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0054	0.0312	0.0358
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.4445	1
Onchocerca volvulus		0.0268	0.351	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0313	0.4168	1
Schistosoma mansoni	hypothetical protein	0.0063	0.0455	0.0437
Echinococcus granulosus	dual specificity	0.0218	0.2757	0.2757
Loa Loa (eye worm)	hypothetical protein	0.0214	0.2707	0.6963
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0128	0.1428	0.1412
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0128	0.1428	0.1428
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0293	0.3879	0.9277
Schistosoma mansoni	hypothetical protein	0.0063	0.0455	0.0437
Schistosoma mansoni	hypothetical protein	0.004	0.0111	0.0092
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0063	0.0455	0.1131
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0063	0.0455	0.0437
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0293	0.3879	0.3868
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.4445	1
Leishmania major	mitochondrial DNA polymerase beta	0.0313	0.4168	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0063	0.0455	0.0455
Brugia malayi	Pre-SET motif family protein	0.0236	0.3025	0.7788
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0293	0.3879	0.9277
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0331	0.4445	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0067	0.0507	0.0489
Schistosoma mansoni	hypothetical protein	0.0128	0.1428	0.1412

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 29 nM	Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabeled kinase assay	ChEMBL.	21450467
IC50 (binding)	= 89 nM	Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabeled kinase assay	ChEMBL.	21450467
IC50 (binding)	= 260 nM	Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabeled kinase assay	ChEMBL.	21450467
IC50 (binding)	= 962 nM	Inhibition of Clk2 kinase using ATP as substrate by 33P radiolabeled kinase assay	ChEMBL.	21450467
IC50 (binding)	= 1781 nM	Inhibition of Dyrk1B kinase using ATP as substrate by 33P radiolabeled kinase assay	ChEMBL.	21450467
IC50 (binding)	> 10000 nM	Inhibition of Clk3 kinase using ATP as substrate by 33P radiolabeled kinase assay	ChEMBL.	21450467
Potency (functional)	0.0823 uM	PUBCHEM_BIOASSAY: Confirmation Assay for Inhibitors of CDC-like Kinase 4 (Kinase-Glo Assay). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1379, AID1770, AID1983, AID1997, AID2710, AID488872, AID488883, AID488887, AID493206, AID504421, AID504424, AID504427, AID504428, AID504429, AID504430]	ChEMBL.	No reference
Potency (functional)	0.4124 uM	PUBCHEM_BIOASSAY: Assay for Inhibitors of Dual-Specificity Tyrosine-(Y)-Phosphorylation Regulated Kinase 1A (Kinase-Glo assay). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1770, AID1997, AID488872, AID488883, AID488887, AID493206]	ChEMBL.	No reference
Potency_Clk2_uM (functional)	0.963 uM	PUBCHEM_BIOASSAY: Kinase Inhibition Study on Inhibitors of CDC-like Kinase 2 (Reaction Biology data). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1459, AID1487, AID1498, AID1770, AID1970, AID1997, AID488872, AID488883, AID488887, AID493204]	ChEMBL.	No reference
Potency_Clk3_uM (functional)	15 uM	PUBCHEM_BIOASSAY: Kinase Inhibition Study on Inhibitors of CDC-like Kinase 3 (Reaction Biology data). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1459, AID1487, AID1498, AID1770, AID1970, AID1997, AID488872, AID488883, AID488887, AID493204]	ChEMBL.	No reference
Potency_Clk4_uM (functional)	0.029 uM	PUBCHEM_BIOASSAY: Kinase Inhibition Study on Inhibitors of CDC-like Kinase 4 (Reaction Biology data): SAR round 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1459, AID1487, AID1498, AID1770, AID1970, AID1997, AID488872, AID488883, AID488887, AID493204]	ChEMBL.	No reference
Potency_Dyrk1a_uM (functional)	0.26 uM	PUBCHEM_BIOASSAY: Kinase Inhibition Study on Inhibitors of Dyrk1a (Reaction Biology data). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1459, AID1487, AID1498, AID1770, AID1970, AID1997, AID488872, AID488883, AID488887, AID493204]	ChEMBL.	No reference
Potency_Dyrk1b_uM (functional)	1.781 uM	PUBCHEM_BIOASSAY: Kinase Inhibition Study on Inhibitors of Dyrk1b (Reaction Biology data). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1459, AID1487, AID1498, AID1770, AID1970, AID1997, AID488872, AID488883, AID488887, AID493204]	ChEMBL.	No reference

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: CHEMBL1318637

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1244292