TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 489.52 | Formula: C27H27N3O6
H donors: 1 H acceptors: 2 LogP: 4.26 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(Nc2nc3c(o2)c(ccc3)c2ccc(cc2)C(=O)N2CCOCC2)cc(c1OC)OC
InChi: 1S/C27H27N3O6/c1-32-22-15-19(16-23(33-2)25(22)34-3)28-27-29-21-6-4-5-20(24(21)36-27)17-7-9-18(10-8-17)26(31)30-11-13-35-14-12-30/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)
InChiKey: RGJMICFWNAVTAA-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	Janus kinase 1	Starlite/ChEMBL	References
Homo sapiens	Janus kinase 2	Starlite/ChEMBL	References
Homo sapiens	Janus kinase 3	Starlite/ChEMBL	References
Homo sapiens	tyrosine kinase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Trypanosoma brucei	hypothetical protein, conserved	0.0076	0.0744	0.7793
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0164	0.0444
Echinococcus granulosus	histone lysine methyltransferase setb	0.0018	0.0026	0.007
Echinococcus granulosus	peregrin	0.0031	0.0194	0.0525
Mycobacterium ulcerans	hypothetical protein	0.0048	0.0394	0.0474
Brugia malayi	hypothetical protein	0.0017	0.0016	0.0043
Schistosoma mansoni	zinc finger protein	0.0016	0.0004	0.001
Brugia malayi	beta-lactamase family protein	0.0076	0.0744	0.2015
Trypanosoma brucei	polo-like protein kinase	0.0093	0.0953	1
Echinococcus multilocularis	tar DNA binding protein	0.0317	0.369	0.369
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0184	0.2063	0.559
Schistosoma mansoni	lamin	0.0056	0.0502	0.1359
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0076	0.0744	0.0744
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.2142	0.6036
Schistosoma mansoni	ap endonuclease	0.0039	0.0282	0.0764
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.0562	0.0562
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.0392	0.1063
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0247	0.0669
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0263	0.0263
Schistosoma mansoni	glutaminase	0.029	0.3351	0.9082
Echinococcus granulosus	tar DNA binding protein	0.0317	0.369	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0076	0.0744	0.16
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0254	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0392	0.1063
Schistosoma mansoni	hypothetical protein	0.0029	0.0164	0.0444
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.0262	0.071
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0394	0.1068
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0247	0.0669
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0394	0.0474
Loa Loa (eye worm)	jmjC domain-containing protein	0.0037	0.0262	0.071
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.2142	0.6036
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0744	0.2015
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1066	0.2889
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0294	0.0796
Schistosoma mansoni	zinc finger protein	0.002	0.0058	0.0156
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0291	0.3363	0.9114
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0539	0.1461
Mycobacterium ulcerans	hypothetical protein	0.0076	0.0744	0.16
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.2142	0.6036
Schistosoma mansoni	lamin	0.0056	0.0502	0.1359
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.0034	0.0091
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0039	0.0282	0.2931
Trichomonas vaginalis	esterase, putative	0.0076	0.0744	0.1498
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0744	0.1498
Brugia malayi	MH2 domain containing protein	0.0119	0.1268	0.3437
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0071	0.0192
Echinococcus multilocularis	zinc finger protein	0.002	0.0058	0.0058
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.0181	0.0491
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0048	0.0392	0.1063
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0184	0.2063	0.559
Schistosoma mansoni	intermediate filament proteins	0.0056	0.0502	0.1359
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0394	0.1068
Brugia malayi	hypothetical protein	0.0036	0.0254	0.0688
Schistosoma mansoni	hypothetical protein	0.0048	0.0392	0.1063
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0164	0.2318
Toxoplasma gondii	ABC1 family protein	0.0076	0.0744	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0039	0.0282	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0254	0.0688
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0128	0.0348
Mycobacterium ulcerans	beta-lactamase	0.0076	0.0744	0.16
Onchocerca volvulus		0.0076	0.0744	0.3472
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0093	0.0953	0.0953
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0953	0.2178
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0347	0.0941
Schistosoma mansoni	tar DNA-binding protein	0.0317	0.369	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0953	0.2178
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.1268	0.3437
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0184	0.2063	0.559
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.0392	0.1063
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0048	0.0392	0.0392
Loa Loa (eye worm)	glutaminase	0.029	0.3351	0.9082
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0953	0.2178
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0048	0.0392	0.1063
Loa Loa (eye worm)	RNA binding protein	0.0317	0.369	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0502	0.1359
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0026	0.007
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0076	0.0744	0.2015
Schistosoma mansoni	hypothetical protein	0.0103	0.1066	0.2889
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0164	0.0579
Brugia malayi	PHD-finger family protein	0.0026	0.0125	0.0338
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0018	0.0026	0.007
Echinococcus granulosus	GPCR family 2	0.0048	0.0392	0.1063
Onchocerca volvulus	Alhambra homolog	0.0029	0.0164	0.0765
Toxoplasma gondii	exonuclease III APE	0.0039	0.0282	0.2499
Schistosoma mansoni	hypothetical protein	0.0048	0.0392	0.1063
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.0562	0.1522
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0164	0.0164
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.0026	0.007
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0744	0.1498
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0093	0.0953	0.2583
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0093	0.0953	0.2583
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0302	0.0818
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0039	0.0282	0.0113
Giardia lamblia	Kinase, PLK	0.0093	0.0953	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0076	0.0744	0.7793
Brugia malayi	Bromodomain containing protein	0.0031	0.0194	0.0525
Trichomonas vaginalis	glucosylceramidase, putative	0.0201	0.2267	0.6443
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0016	0.0004	0.001
Schistosoma mansoni	hypothetical protein	0.0048	0.0392	0.1063
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0048	0.0394	0.4136
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.0392	0.1063
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.1268	0.3437
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0744	0.0939
Leishmania major	hypothetical protein, conserved	0.0026	0.0128	0.1311
Onchocerca volvulus		0.0048	0.0394	0.1841
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0056	0.0502	0.1359
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0744	0.2015
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0095	0.0257
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0291	0.3363	0.9114
Loa Loa (eye worm)	hypothetical protein	0.0073	0.07	0.1897
Trypanosoma cruzi	hypothetical protein, conserved	0.0076	0.0744	0.7793
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0953	0.2178
Loa Loa (eye worm)	TAR-binding protein	0.0317	0.369	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0132	0.0358
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0093	0.0953	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0291	0.3363	1
Mycobacterium ulcerans	glutaminase	0.029	0.3351	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0394	0.4113
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0132	0.0358
Trichomonas vaginalis	glucosylceramidase, putative	0.0291	0.3363	1
Onchocerca volvulus		0.0076	0.0744	0.3472
Brugia malayi	jmjC domain containing protein	0.0094	0.0966	0.2617
Schistosoma mansoni	hypothetical protein	0.0166	0.1837	0.4978
Trichomonas vaginalis	glucosylceramidase, putative	0.0291	0.3363	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0184	0.2063	0.559
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0184	0.2063	0.559
Schistosoma mansoni	hypothetical protein	0.0166	0.1837	0.4978
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0164	0.0579
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0394	0.4113
Mycobacterium leprae	Probable lipase LipE	0.0076	0.0744	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0317	0.369	1
Echinococcus multilocularis	GPCR, family 2	0.0048	0.0392	0.0392
Schistosoma mansoni	kinase	0.0047	0.0392	0.1062
Onchocerca volvulus		0.0076	0.0744	0.3472
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0377	0.0307
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0164	0.0444
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0076	0.0744	0.2015
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.0966	0.0966
Entamoeba histolytica	hypothetical protein	0.0036	0.0254	0.2665
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0254	0.0688
Loa Loa (eye worm)	hypothetical protein	0.015	0.1647	0.4462
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0238	0.0238
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0394	0.4113
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0039	0.0282	0.2931
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0039	0.0282	0.2959
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0394	0.1068
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0048	0.0394	0.0474
Brugia malayi	intermediate filament protein	0.0056	0.0502	0.1359
Entamoeba histolytica	acyl-coA synthetase, putative	0.0048	0.0394	0.4136
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0095	0.0095
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0164	0.0579
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.0953	0.2583
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0036	0.0247	0.5
Echinococcus granulosus	geminin	0.0166	0.1837	0.4978
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0394	0.1068
Brugia malayi	jmjC domain containing protein	0.0037	0.0262	0.071
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0048	0.0394	0.0309
Entamoeba histolytica	hypothetical protein	0.0036	0.0254	0.2665
Mycobacterium tuberculosis	Probable hydrolase	0.0076	0.0744	0.0939
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0263	0.0713
Brugia malayi	glutaminase DH11.1	0.029	0.3351	0.9082
Schistosoma mansoni	tar DNA-binding protein	0.0317	0.369	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.0282	0.0764
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0128	0.1311
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0744	0.2015
Brugia malayi	beta-lactamase family protein	0.0076	0.0744	0.2015
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0744	0.2015
Mycobacterium tuberculosis	Probable lipase LipD	0.0076	0.0744	0.0939
Entamoeba histolytica	hypothetical protein	0.0036	0.0254	0.2665
Trichomonas vaginalis	penicillin-binding protein, putative	0.0076	0.0744	0.1498
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0018	0.0026	0.0026
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0093	0.0953	0.445
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0282	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0048	0.0394	0.4136
Entamoeba histolytica	hypothetical protein	0.0036	0.0254	0.2665
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0026	0.007
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0095	0.0257
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0048	0.0392	0.0392
Loa Loa (eye worm)	intermediate filament protein	0.0056	0.0502	0.1359
Brugia malayi	serine/threonine-protein kinase plk-2	0.0093	0.0953	0.2583
Echinococcus multilocularis	lamin dm0	0.0056	0.0502	0.0502
Schistosoma mansoni	hypothetical protein	0.0021	0.0071	0.0192
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0076	0.0744	0.0939
Echinococcus granulosus	lamin	0.0056	0.0502	0.1359
Onchocerca volvulus		0.0056	0.0502	0.2342
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0394	0.0474
Mycobacterium tuberculosis	Probable esterase LipL	0.0076	0.0744	0.0939
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0184	0.2063	0.2063
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0039	0.0282	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0076	0.0744	0.0939
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.0026	0.007
Echinococcus granulosus	zinc finger protein	0.002	0.0058	0.0156
Brugia malayi	TAR-binding protein	0.0317	0.369	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0036	0.0247	0.1928
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.0262	0.071
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0489	0.1325
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0953	0.2178
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0076	0.0744	0.2015
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0027	0.0145	0.0392
Echinococcus multilocularis	musashi	0.0056	0.0502	0.0502
Trichomonas vaginalis	glucosylceramidase, putative	0.0201	0.2267	0.6443
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0953	0.2178
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0184	0.2063	0.559
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0048	0.0394	0.0474
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0076	0.0744	0.16
Echinococcus granulosus	lamin dm0	0.0056	0.0502	0.1359
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0377	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0145	0.0392
Plasmodium vivax	hypothetical protein, conserved	0.0076	0.0744	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.2142	0.6036
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.0966	0.2617
Echinococcus granulosus	beta LACTamase domain containing family member	0.0076	0.0744	0.2015
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.015	0.1647	0.4462
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0039	0.0282	0.0106
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.0282	0.0764
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.0953	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.0953	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0247	0.0669
Mycobacterium ulcerans	lipase LipD	0.0076	0.0744	0.16
Brugia malayi	beta-lactamase	0.0076	0.0744	0.2015
Trichomonas vaginalis	glucosylceramidase, putative	0.0291	0.3363	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.015	0.1647	0.4462
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0744	0.2015
Plasmodium falciparum	acyl-CoA synthetase	0.0036	0.0247	0.7718
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0039	0.0282	0.2931
Brugia malayi	PHD-finger family protein	0.0029	0.0164	0.0444
Onchocerca volvulus	Glucosylceramidase homolog	0.0191	0.2142	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.0282	0.0764
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0039	0.0282	0.2931
Onchocerca volvulus		0.0056	0.0502	0.2342
Brugia malayi	latrophilin 2 splice variant baaae	0.0103	0.1066	0.2889
Schistosoma mansoni	tar DNA-binding protein	0.0317	0.369	1
Brugia malayi	cytoplasmic intermediate filament protein	0.003	0.0181	0.0491
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.2142	0.6036
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0302	0.0302
Mycobacterium leprae	conserved hypothetical protein	0.0076	0.0744	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0394	0.0474
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0128	0.1311
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0076	0.0744	0.2015
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0039	0.0282	0.1497
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0184	0.2063	0.559
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0184	0.2063	0.2063
Brugia malayi	hypothetical protein	0.0026	0.0128	0.0348
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0282	0.2499
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0247	0.0669
Schistosoma mansoni	ap endonuclease	0.0039	0.0282	0.0764
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0416	0.1126
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0048	0.0394	0.0309
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0744	0.0939
Trichomonas vaginalis	glucosylceramidase, putative	0.0291	0.3363	1
Schistosoma mansoni	tar DNA-binding protein	0.0317	0.369	1
Loa Loa (eye worm)	glutaminase 2	0.029	0.3351	0.9082
Loa Loa (eye worm)	beta-lactamase	0.0076	0.0744	0.2015
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0048	0.0394	0.0474
Brugia malayi	Bromodomain containing protein	0.0077	0.0754	0.2043
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0093	0.0953	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0056	0.0502	0.1359
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.0282	0.0282
Brugia malayi	Bromodomain containing protein	0.0039	0.0293	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0394	0.1068
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0247	0.0669
Echinococcus granulosus	lysine specific demethylase 5A	0.0037	0.0262	0.071
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0048	0.0394	0.0474
Brugia malayi	RNA recognition motif domain containing protein	0.0317	0.369	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0323	0.0876
Trichomonas vaginalis	glutaminase, putative	0.029	0.3351	0.9961
Mycobacterium tuberculosis	Probable lipase LipE	0.0076	0.0744	0.0939
Schistosoma mansoni	tar DNA-binding protein	0.0317	0.369	1
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0744	0.0939
Schistosoma mansoni	hypothetical protein	0.0036	0.0254	0.0688
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0744	0.2015
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0164	0.0444
Schistosoma mansoni	hypothetical protein	0.0016	0.0004	0.001
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0026	0.007
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0744	0.1498
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0076	0.0744	0.0939
Echinococcus multilocularis	peregrin	0.0031	0.0194	0.0194
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0128	0.1311
Schistosoma mansoni	bromodomain containing protein	0.0065	0.0607	0.1644
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0036	0.0247	0.0043
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0164	0.0444
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0018	0.0026	0.0026
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.2142	0.6036
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.0145	0.0145
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0487	0.5767	1
Echinococcus granulosus	intermediate filament protein	0.0056	0.0502	0.1359
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0394	0.1068
Leishmania major	hypothetical protein, conserved	0.0076	0.0744	0.7793
Brugia malayi	Calcitonin receptor-like protein seb-1	0.015	0.1647	0.4462
Trichomonas vaginalis	penicillin-binding protein, putative	0.0076	0.0744	0.1498
Brugia malayi	RNA binding protein	0.0317	0.369	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.2142	0.6036
Trichomonas vaginalis	glucosylceramidase, putative	0.0291	0.3363	1
Echinococcus multilocularis	geminin	0.0166	0.1837	0.1837
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.0728	0.1974
Echinococcus multilocularis	lamin	0.0056	0.0502	0.0502
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0953	0.2178
Schistosoma mansoni	hypothetical protein	0.0048	0.0392	0.1063

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.008 uM	Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay	ChEMBL.	20138510
IC50 (binding)	= 0.0275 uM	Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay	ChEMBL.	20138510
IC50 (binding)	= 0.11 uM	Inhibition of GST-tagged TYK2 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay	ChEMBL.	20138510
IC50 (binding)	= 0.4 uM	Inhibition of GST-tagged JAK3 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay	ChEMBL.	20138510

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: CHEMBL1081978

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1129096