TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 568.712 | Formula: C32H40N8O2
H donors: 2 H acceptors: 4 LogP: 3.62 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(ccc1NC(=O)CCc1ccccc1)c1nn(c2c1c(N)ncn2)[C@@H]1CC[C@H](CC1)N1CCN(CC1)C
InChi: 1S/C32H40N8O2/c1-38-16-18-39(19-17-38)24-10-12-25(13-11-24)40-32-29(31(33)34-21-35-32)30(37-40)23-9-14-26(27(20-23)42-2)36-28(41)15-8-22-6-4-3-5-7-22/h3-7,9,14,20-21,24-25H,8,10-13,15-19H2,1-2H3,(H,36,41)(H2,33,34,35)/t24-,25-
InChiKey: WGBGLPNMHGTLQS-SOAUALDESA-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	TEK tyrosine kinase, endothelial	Starlite/ChEMBL	References
Homo sapiens	LCK proto-oncogene, Src family tyrosine kinase	Starlite/ChEMBL	References
Homo sapiens	SRC proto-oncogene, non-receptor tyrosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	SRC-1	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fgr	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Blk	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase Yrk, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase HCK	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	ko:K08892 fyn-related kinase, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase HCK	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Brugia malayi	protein-tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src64B	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	SRC-1	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FGR, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Srms	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Blk	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Src64B	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Lyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750

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
Brugia malayi	nuclear receptor RXR	0.0114	0.1938	0.1755
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0128	0.2307	0.2307
Brugia malayi	hypothetical protein	0.0128	0.2307	0.2139
Echinococcus multilocularis	nuclear receptor nhr 48	0.0114	0.1938	0.1938
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0242	0.5389	0.5453
Brugia malayi	Steroid receptor seven-up type 2	0.0242	0.5389	0.5337
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1938	0.1961
Schistosoma mansoni	nuclear hormone receptor	0.0242	0.5389	0.5218
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1938	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1938	0.1961
Brugia malayi	nuclear hormone receptor	0.0242	0.5389	0.5337
Echinococcus granulosus	tyrosine protein kinase Src42A	0.006	0.0486	0.0486
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0242	0.5389	0.5337
Echinococcus granulosus	tyrosine kinase	0.0051	0.0246	0.0246
Schistosoma mansoni	tyrosine kinase	0.0188	0.3928	0.3664
Echinococcus granulosus	nuclear receptor nhr 48	0.0114	0.1938	0.1938
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0242	0.5389	1
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1938	0.1961
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0242	0.5389	0.5389
Echinococcus granulosus	insulin receptor	0.0408	0.9883	0.9883
Echinococcus multilocularis		0.0053	0.0283	0.0283
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.006	0.0486	0.0486
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0242	0.5389	0.5337
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0114	0.1938	0.1938
Brugia malayi	hypothetical protein	0.0114	0.1938	0.1755
Echinococcus granulosus	ecdysone induced protein 78C	0.0242	0.5389	0.5389
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0114	0.1938	0.1755
Brugia malayi	nuclear hormone receptor	0.0114	0.1938	0.1755
Echinococcus multilocularis	ecdysone induced protein 78C	0.0242	0.5389	0.5389
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0051	0.0246	0.0246
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0242	0.5389	0.5389
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0242	0.5389	0.5389
Brugia malayi	nuclear receptor RXR	0.0128	0.2307	0.2139
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.006	0.0486	0.0486
Echinococcus granulosus	tyrosine protein kinase Fyn	0.006	0.0486	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1938	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0242	0.5389	0.5453
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0242	0.5389	0.5337
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0114	0.1938	0.1938
Loa Loa (eye worm)	hypothetical protein	0.0128	0.2307	0.2335
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0114	0.1938	0.1938
Schistosoma mansoni	nuclear receptor	0.0114	0.1938	0.1545
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0114	0.1938	0.1961
Onchocerca volvulus		0.0242	0.5389	1
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0051	0.0246	0.0246
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0242	0.5389	0.5389
Schistosoma mansoni	tyrosine kinase	0.0408	0.9883	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0114	0.1938	0.1938
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.006	0.0486	0.0486
Loa Loa (eye worm)	nuclear hormone receptor	0.0114	0.1938	0.1961
Brugia malayi	tailless protein	0.0114	0.1938	0.1755
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0242	0.5389	0.5337
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0242	0.5389	0.5453
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0242	0.5389	0.5389
Loa Loa (eye worm)	hypothetical protein	0.0128	0.2307	0.2335
Loa Loa (eye worm)	hypothetical protein	0.022	0.481	0.4867
Schistosoma mansoni	thyroid hormone receptor	0.0242	0.5389	0.5218
Brugia malayi	ecdysteroid receptor	0.0242	0.5389	0.5337
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0242	0.5389	0.5389
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0242	0.5389	0.5337
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0044	0.0054	0.0054
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0242	0.5389	0.5218
Brugia malayi	Protein kinase domain containing protein	0.0408	0.9883	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0242	0.5389	0.5453
Entamoeba histolytica	protein kinase, putative	0.0042	0	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0242	0.5389	0.5389
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0242	0.5389	0.5337
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.006	0.0486	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0242	0.5389	0.5453
Brugia malayi	hypothetical protein	0.0114	0.1938	0.1755
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0242	0.5389	0.5337
Brugia malayi	Furin-like cysteine rich region family protein	0.0188	0.3928	0.3821
Brugia malayi	nuclear hormone receptor family member odr-7	0.0114	0.1938	0.1755
Brugia malayi	nuclear receptor NHR-88	0.0242	0.5389	0.5337
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0242	0.5389	0.5389
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0114	0.1938	0.1938
Schistosoma mansoni	coup transcription factor	0.0242	0.5389	0.5218
Brugia malayi	Nuclear hormone receptor-like 1	0.0242	0.5389	0.5337
Schistosoma mansoni	RAR-like nuclear receptor	0.0242	0.5389	0.5218
Schistosoma mansoni	nuclear receptor	0.0114	0.1938	0.1545
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0128	0.2307	0.1938
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0242	0.5389	0.5389
Onchocerca volvulus	Protein ultraspiracle homolog	0.0242	0.5389	1
Echinococcus granulosus	epidermal growth factor receptor	0.0188	0.3928	0.3928
Loa Loa (eye worm)	hypothetical protein	0.0128	0.2307	0.2335
Echinococcus granulosus	epidermal growth factor receptor	0.0188	0.3928	0.3928
Loa Loa (eye worm)	SRC-1	0.006	0.0486	0.0491
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0242	0.5389	0.5389
Echinococcus multilocularis	insulin receptor	0.0408	0.9883	0.9883
Schistosoma mansoni	nuclear hormone receptor	0.0114	0.1938	0.1545
Schistosoma mansoni	tyrosine kinase	0.018	0.3737	0.346
Brugia malayi	steroid hormone receptor	0.0242	0.5389	0.5337
Loa Loa (eye worm)	TK/INSR protein kinase	0.0408	0.9883	1
Echinococcus granulosus	tyrosine protein kinase Blk	0.0051	0.0246	0.0246
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0114	0.1938	0.1938
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0242	0.5389	0.5389
Echinococcus granulosus	thyroid hormone receptor alpha	0.0114	0.1938	0.1938
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1938	0.1961
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0242	0.5389	0.5453
Brugia malayi	Protein kinase domain containing protein	0.0227	0.5002	0.4935
Loa Loa (eye worm)	hypothetical protein	0.0242	0.5389	0.5453
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0114	0.1938	0.1545
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0242	0.5389	0.5389
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0242	0.5389	0.5453
Brugia malayi	Nuclear hormone receptor E75	0.0114	0.1938	0.1755
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0114	0.1938	0.1755
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1938	0.1961
Brugia malayi	nuclear receptor NHR-88	0.0114	0.1938	0.1755
Brugia malayi	photoreceptor-specific nuclear receptor	0.0242	0.5389	0.5337
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1938	0.1961
Schistosoma mansoni	tyrosine kinase	0.018	0.3737	0.346
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0242	0.5389	0.5337
Schistosoma mansoni	tyrosine kinase	0.0188	0.3928	0.3664
Loa Loa (eye worm)	DR-78	0.0114	0.1938	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1938	0.1961
Schistosoma mansoni	nuclear hormone receptor	0.0114	0.1938	0.1545
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.006	0.0486	0.0486
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0242	0.5389	0.5218
Echinococcus multilocularis	FTZ F1 alpha	0.0242	0.5389	0.5389
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1938	0.1961
Echinococcus multilocularis	epidermal growth factor receptor	0.0188	0.3928	0.3928
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0242	0.5389	0.5453
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0188	0.3928	0.3928
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0412	1	1
Brugia malayi	conserved hypotetical protein	0.0114	0.1938	0.1755
Loa Loa (eye worm)	hypothetical protein	0.0242	0.5389	0.5453
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0114	0.1938	0.1938
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0242	0.5389	0.5337
Loa Loa (eye worm)	hypothetical protein	0.0242	0.5389	0.5453
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.006	0.0486	0.0486
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0188	0.3928	0.3975
Echinococcus granulosus	tyrosine protein kinase Fyn	0.006	0.0486	0.0486
Echinococcus granulosus	tyrosine protein kinase Src64B	0.006	0.0486	0.0486
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.006	0.0486	0.0486
Schistosoma mansoni	tyrosine kinase	0.0408	0.9883	1
Brugia malayi	Nuclear hormone receptor E75	0.0114	0.1938	0.1755
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1938	0.1961
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0242	0.5389	0.5337
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0044	0.0054	0.0054
Onchocerca volvulus	Bile acid receptor homolog	0.0242	0.5389	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0242	0.5389	0.5337
Brugia malayi	Nuclear hormone receptor-like 1	0.0128	0.2307	0.2139
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0051	0.0246	0.0246
Brugia malayi	ecdysone receptor	0.0114	0.1938	0.1755
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0114	0.1938	0.1938
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.006	0.0486	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0242	0.5389	0.5453
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0114	0.1938	0.1545
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0128	0.2307	0.1938
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0242	0.5389	0.5453
Echinococcus multilocularis	epidermal growth factor receptor	0.0188	0.3928	0.3928
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0242	0.5389	0.5218
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0242	0.5389	0.5389
Schistosoma mansoni	tyrosine kinase	0.018	0.3737	0.346
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0242	0.5389	0.5218
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0114	0.1938	0.1961
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0242	0.5389	0.5337
Loa Loa (eye worm)	TK protein kinase	0.0051	0.0246	0.0249
Schistosoma mansoni	nuclear receptor nhr-48	0.0114	0.1938	0.1545
Brugia malayi	nuclear receptor NHR-67	0.0114	0.1938	0.1755
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0128	0.2307	0.2335
Brugia malayi	SRC-1	0.006	0.0486	0.0249
Schistosoma mansoni	zinc finger protein	0.0114	0.1938	0.1545
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.006	0.0486	0.0486
Schistosoma mansoni	tyrosine kinase	0.0188	0.3928	0.3664
Echinococcus granulosus	FTZ F1 alpha	0.0242	0.5389	0.5389
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1938	0.1961
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.006	0.0486	0.0486
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0051	0.0246	0.0246
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0242	0.5389	0.5389
Loa Loa (eye worm)	hypothetical protein	0.0242	0.5389	0.5453
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0242	0.5389	0.5218
Brugia malayi	Nuclear hormone receptor-like 1	0.0128	0.2307	0.2139
Loa Loa (eye worm)	hypothetical protein	0.0128	0.2307	0.2335
Loa Loa (eye worm)	steroid hormone receptor	0.0242	0.5389	0.5453
Loa Loa (eye worm)	hypothetical protein	0.0128	0.2307	0.2335
Schistosoma mansoni	retinoic acid receptor RXR	0.0242	0.5389	0.5218
Loa Loa (eye worm)	hypothetical protein	0.0242	0.5389	0.5453
Brugia malayi	hypothetical protein	0.0128	0.2307	0.2139
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0242	0.5389	0.5337
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1938	0.1961
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0114	0.1938	0.1938
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0128	0.2307	0.2307
Schistosoma mansoni	thyroid hormone receptor	0.0242	0.5389	0.5218
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0242	0.5389	0.5218
Echinococcus granulosus	tyrosine protein kinase Lyn	0.006	0.0486	0.0486
Brugia malayi	orphan nuclear receptor NR2E1	0.0114	0.1938	0.1755
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.006	0.0486	0.0486
Echinococcus granulosus	tyrosine protein kinase Fyn	0.006	0.0486	0.0486
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0242	0.5389	0.5218

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 5 mg kg-1	Tested in vivo for inhibition ofTCR stimulated (alpha-CD3 mAb) IL-2 production in mice after oral dosing	ChEMBL.	12039591
ED50 (functional)	= 5 mg kg-1	Tested in vivo for inhibition ofTCR stimulated (alpha-CD3 mAb) IL-2 production in mice after oral dosing	ChEMBL.	12039591
ED50 (functional)	< 10 mg kg-1	Ability of the compound to supress interleukin-2 production was determined after 2.5 hours of oral administration in mice	ChEMBL.	15109663
ED50 (functional)	< 10 mg kg-1	Ability of the compound to supress interleukin-2 production was determined after 2.5 hours of oral administration in mice	ChEMBL.	15109663
ED90 (functional)	= 30 mg kg-1	Tested in vivo for inhibition ofTCR stimulated (alpha-CD3 mAb) IL-2 production in mice after oral dosing	ChEMBL.	12039591
ED90 (functional)	= 30 mg kg-1	Tested in vivo for inhibition ofTCR stimulated (alpha-CD3 mAb) IL-2 production in mice after oral dosing	ChEMBL.	12039591
IC50 (binding)	= 0.028 uM	Inhibition of human lck kinase.	ChEMBL.	12039591
IC50 (binding)	= 0.028 uM	Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide	ChEMBL.	15109663
IC50 (binding)	= 0.028 uM	Inhibition of human lck kinase.	ChEMBL.	12039591
IC50 (binding)	= 0.028 uM	Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide	ChEMBL.	15109663
IC50 (functional)	= 0.038 uM	Inhibition of alpha-CD3 mAb induced IL-2 production in human whole blood	ChEMBL.	12039591
IC50 (functional)	= 0.038 uM	Inhibition of anti-CD3 mAb induced inter leukein-2 production in human whole blood was evaluated	ChEMBL.	15109663
IC50 (functional)	= 0.038 uM	Inhibition of alpha-CD3 mAb induced IL-2 production in human whole blood	ChEMBL.	12039591
IC50 (functional)	= 0.038 uM	Inhibition of anti-CD3 mAb induced inter leukein-2 production in human whole blood was evaluated	ChEMBL.	15109663
IC50 (binding)	= 0.155 uM	Inhibition of human src kinase.	ChEMBL.	12039591
IC50 (binding)	= 0.155 uM	Inhibition of Src protein tryrosine kinase activity with 1 mM ATP and biotinylated lck peptide	ChEMBL.	15109663
IC50 (binding)	= 0.155 uM	Inhibition of human src kinase.	ChEMBL.	12039591
IC50 (binding)	= 0.155 uM	Inhibition of Src protein tryrosine kinase activity with 1 mM ATP and biotinylated lck peptide	ChEMBL.	15109663
IC50 (binding)	= 2.45 uM	Inhibition of human tie-2 kinase.	ChEMBL.	12039591
IC50 (binding)	= 2.45 uM	Inhibition of tyrosine protein kinase receptor TIE-2 with 1 mM ATP and biotinylated lck peptide	ChEMBL.	15109663
IC50 (binding)	= 2.45 uM	Inhibition of human tie-2 kinase.	ChEMBL.	12039591
IC50 (binding)	= 2.45 uM	Inhibition of tyrosine protein kinase receptor TIE-2 with 1 mM ATP and biotinylated lck peptide	ChEMBL.	15109663
IC50 (binding)	> 50 uM	Inhibition of human VEGF-receptor 2 (kdr) kinase.	ChEMBL.	12039591
IC50 (binding)	> 50 uM	Inhibition of vascular endothelial growth factor receptor 2	ChEMBL.	15109663
IC50 (binding)	> 50 uM	Inhibition of human VEGF-receptor 2 (kdr) kinase.	ChEMBL.	12039591
IC50 (binding)	> 50 uM	Inhibition of vascular endothelial growth factor receptor 2	ChEMBL.	15109663
Inhibition (functional)	< 10 %	Tested in vivo for inhibition ofTCR stimulated (alpha-CD3 mAb) IL-2 production in mice after oral dosing for 18 hr	ChEMBL.	12039591
Inhibition (functional)	< 10 %	Tested in vivo for inhibition ofTCR stimulated (alpha-CD3 mAb) IL-2 production in mice after oral dosing for 18 hr	ChEMBL.	12039591
Inhibition (functional)	= 63 %	Tested in vivo for inhibition ofTCR stimulated (alpha-CD3 mAb) IL-2 production in mice after oral dosing for 8 hr	ChEMBL.	12039591
Inhibition (functional)	= 63 %	Tested in vivo for inhibition ofTCR stimulated (alpha-CD3 mAb) IL-2 production in mice after oral dosing for 8 hr	ChEMBL.	12039591

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	12039591

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: CHEMBL295601

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 67963