TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 407.505 | Formula: C24H29N3O3
H donors: 2 H acceptors: 2 LogP: 3.87 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)[C@H]1Cc2c(CN1C(=O)NC13CC4CC(C3)CC(C1)C4)[nH]c1c2cccc1
InChi: 1S/C24H29N3O3/c1-30-22(28)21-9-18-17-4-2-3-5-19(17)25-20(18)13-27(21)23(29)26-24-10-14-6-15(11-24)8-16(7-14)12-24/h2-5,14-16,21,25H,6-13H2,1H3,(H,26,29)/t14?,15?,16?,21-,24?/m1/s1
InChiKey: MZWMPUXEJIICDD-MSQNUCTKSA-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
Mus musculus	nitric oxide synthase 2, inducible	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
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0033	0.0033	0.0003
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0046	0.0142	0.0113
Echinococcus granulosus	growth factor receptor bound protein 2	0.0057	0.023	0.0201
Loa Loa (eye worm)	TK/FER protein kinase	0.0046	0.0142	0.0431
Echinococcus granulosus	N chimaerin	0.0033	0.0033	0.0003
Echinococcus granulosus	tyrosine kinase	0.0046	0.0142	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0033	0.0011
Trichomonas vaginalis	sulfite reductase, putative	0.0032	0.003	1
Schistosoma mansoni	tensin-related	0.0033	0.0033	0.0003
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0032	0.003	1
Schistosoma mansoni	tyrosine kinase	0.0313	0.232	0.2343
Schistosoma mansoni	tyrosine kinase	0.0273	0.1991	0.2006
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.007	0.034	0.0317
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0099	0.0572	0.0544
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0099	0.0572	0.0544
Echinococcus multilocularis		0.0033	0.0033	0.0003
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0033	0.0033	0.0003
Schistosoma mansoni	tyrosine kinase	0.0099	0.0572	0.0555
Echinococcus multilocularis	SH2 motif	0.0033	0.0033	0.0003
Echinococcus granulosus	tyrosine protein kinase Lyn	0.01	0.0579	0.0551
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.0033	0.0033	0.0003
Schistosoma mansoni	suppressor of cytokine signaling	0.0033	0.0033	0.0003
Echinococcus granulosus	suppressor of cytokine signaling 6	0.0033	0.0033	0.0003
Echinococcus granulosus	arf GAP with SH3 domain ANK repeat and PH	0.0035	0.0054	0.0025
Brugia malayi	hypothetical protein	0.0033	0.0033	0.0011
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0313	0.232	0.2297
Brugia malayi	Tensin	0.0033	0.0033	0.0011
Loa Loa (eye worm)	TK/FER protein kinase	0.0046	0.0142	0.0431
Schistosoma mansoni	tyrosine kinase	0.0192	0.1331	0.1331
Brugia malayi	SRC-1	0.0099	0.0572	0.208
Entamoeba histolytica	hypothetical protein	0.0035	0.0054	0.1975
Schistosoma mansoni	tyrosine kinase	0.0192	0.1331	0.1331
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.0033	0.0033	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0033	0.0011
Loa Loa (eye worm)	SH2 domain-containing protein	0.0033	0.0033	0.0011
Echinococcus multilocularis	tyrosine protein kinase shark	0.0046	0.0142	0.0113
Brugia malayi	Furin-like cysteine rich region family protein	0.0273	0.1991	0.7521
Schistosoma mansoni	tensin-related	0.0033	0.0033	0.0003
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0099	0.0572	0.0544
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0099	0.0572	0.0544
Loa Loa (eye worm)	STAT protein	0.0033	0.0033	0.0011
Schistosoma mansoni	hypothetical protein	0.0033	0.0033	0.0003
Brugia malayi	Variant SH3 domain containing protein	0.0057	0.023	0.0768
Echinococcus multilocularis	tyrosine protein kinase Abl	0.007	0.034	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0033	0.0011
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0313	0.232	0.2297
Echinococcus granulosus	expressed conserved protein	0.0033	0.0033	0.0003
Onchocerca volvulus		0.0046	0.0142	1
Brugia malayi	SH2 domain containing protein	0.0033	0.0033	0.0011
Loa Loa (eye worm)	TK/FER protein kinase	0.0046	0.0142	0.0431
Schistosoma mansoni	shc transforming protein	0.0033	0.0033	0.0003
Echinococcus multilocularis	NCK adaptor protein	0.0057	0.023	0.0201
Brugia malayi	tRNA modification GTPase TrmE family protein	0.0033	0.0033	0.0011
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0032	0.003	0.5
Schistosoma mansoni	vav2	0.0044	0.0124	0.0096
Echinococcus multilocularis	SH2 domain containing protein 7	0.0033	0.0033	0.0003
Brugia malayi	SH2 domain containing protein	0.0046	0.0142	0.0431
Echinococcus multilocularis	insulin receptor	0.0313	0.232	0.2297
Echinococcus granulosus	insulin receptor	0.0313	0.232	0.2297
Schistosoma mansoni	GTPase activating protein	0.0033	0.0033	0.0003
Echinococcus multilocularis	c src tyrosine kinase	0.007	0.034	0.0311
Schistosoma mansoni	growth factor receptor-bound protein	0.0057	0.023	0.0205
Echinococcus granulosus	hypothetical protein	0.0033	0.0033	0.0003
Echinococcus granulosus	suppressor of cytokine signaling 7	0.0033	0.0033	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0057	0.023	0.0768
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0075	0.0375	0.0346
Brugia malayi	Protein kinase domain containing protein	0.0313	0.232	0.8783
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0033	0.0011
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0099	0.0572	0.0544
Brugia malayi	SH2 domain containing protein	0.0033	0.0033	0.0011
Loa Loa (eye worm)	TK/FER protein kinase	0.0046	0.0142	0.0431
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0033	0.0033	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0033	0.0011
Echinococcus granulosus	epidermal growth factor receptor	0.0205	0.1441	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0033	0.0011
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0099	0.0572	0.0544
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0057	0.023	0.0201
Brugia malayi	Protein kinase domain containing protein	0.0046	0.0142	0.0431
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0033	0.0033	0.0003
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.0033	0.0033	0.0003
Echinococcus granulosus	tyrosine protein kinase shark	0.0046	0.0142	0.0113
Echinococcus granulosus	tensin	0.0033	0.0033	0.0003
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0046	0.0142	0.0113
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0033	0.0033	0.0003
Brugia malayi	Variant SH3 domain containing protein	0.0033	0.0033	0.0011
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.0033	0.0033	0.0011
Onchocerca volvulus		0.0046	0.0142	1
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0904	0.3354
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0046	0.0142	1
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0033	0.0033	0.0003
Echinococcus multilocularis	tyrosine kinase	0.0046	0.0142	0.0113
Echinococcus granulosus	c src tyrosine kinase	0.007	0.034	0.0311
Loa Loa (eye worm)	TK/INSR protein kinase	0.0313	0.232	0.8783
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0033	0.0033	0.0003
Echinococcus multilocularis	arf GAP with SH3 domain, ANK repeat and PH	0.0035	0.0054	0.0025
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0032	0.003	0.5
Trypanosoma cruzi	p450 reductase, putative	0.0032	0.003	0.5
Brugia malayi	SH2 domain containing protein	0.0033	0.0033	0.0011
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0032	0.003	0.5
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0099	0.0572	0.0544
Brugia malayi	hypothetical protein	0.0046	0.0142	0.0431
Echinococcus multilocularis	signal transduction protein lnk realted	0.0033	0.0033	0.0003
Brugia malayi	Cytochrome P450 family protein	0.007	0.0336	0.1172
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0061	0.0265	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0033	0.0011
Onchocerca volvulus		0.0046	0.0142	1
Brugia malayi	RhoGAP domain containing protein	0.0033	0.0033	0.0011
Schistosoma mansoni	serine/threonine protein kinase	0.0038	0.0073	0.0044
Schistosoma mansoni	tyrosine kinase	0.123	0.9803	1
Echinococcus multilocularis	SH2 motif	0.0033	0.0033	0.0003
Loa Loa (eye worm)	TK protein kinase	0.0075	0.0375	0.1323
Brugia malayi	Variant SH3 domain containing protein	0.0044	0.0124	0.0359
Echinococcus multilocularis	MAP kinase activated protein kinase 2	0.0352	0.2637	0.2615
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0057	0.023	0.0205
Brugia malayi	map kinase activated protein kinase protein 2	0.0352	0.2637	1
Schistosoma mansoni	development and differentiation-enhancing factor ddef	0.0035	0.0054	0.0025
Schistosoma mansoni	tyrosine kinase	0.007	0.034	0.0317
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0033	0.0033	0.0011
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0099	0.0572	0.0544
Echinococcus granulosus	SH2 domain containing protein 7	0.0033	0.0033	0.0003
Schistosoma mansoni	signal transduction protein lnk-related	0.0033	0.0033	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0033	0.0011
Echinococcus multilocularis	SHC transforming protein 3	0.0033	0.0033	0.0003
Brugia malayi	SH2 domain containing protein	0.0033	0.0033	0.0011
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0099	0.0572	0.0544
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0061	0.0265	0.0236
Loa Loa (eye worm)	TK/FER protein kinase	0.0046	0.0142	0.0431
Loa Loa (eye worm)	TK/FER protein kinase	0.0046	0.0142	0.0431
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0033	0.0033	0.0003
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0075	0.0375	0.0346
Schistosoma mansoni	tyrosine kinase	0.0046	0.0142	0.0115
Brugia malayi	SH2 domain containing protein	0.0033	0.0033	0.0011
Echinococcus multilocularis	tensin	0.0033	0.0033	0.0003
Schistosoma mansoni	adapter molecule crk	0.0057	0.023	0.0205
Brugia malayi	Variant SH3 domain containing protein	0.0057	0.023	0.0768
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0099	0.0572	0.0544
Schistosoma mansoni	tyrosine kinase	0.0192	0.1331	0.1331
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0046	0.0142	0.0113
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0033	0.0033	0.0003
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0033	0.0033	0.0003
Loa Loa (eye worm)	TK protein kinase	0.0042	0.0109	0.0301
Schistosoma mansoni	serine/threonine protein kinase	0.0352	0.2637	0.2668
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0075	0.0375	0.0346
Schistosoma mansoni	growth factor receptor-bound protein	0.0057	0.023	0.0205
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0033	0.0033	0.0003
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0099	0.0572	0.0544
Entamoeba histolytica	protein kinase, putative	0.0042	0.0109	0.6904
Loa Loa (eye worm)	TK/ABL protein kinase	0.0046	0.0142	0.0431
Schistosoma mansoni	tyrosine kinase	0.0205	0.1441	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0033	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0033	0.0011
Echinococcus granulosus	MAP kinase activated protein kinase 2	0.0352	0.2637	0.2615
Entamoeba histolytica	protein kinase, putative	0.0034	0.004	0.0671
Brugia malayi	protein-tyrosine kinase	0.0075	0.0375	0.1323
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0034	0.004	0.0671
Echinococcus granulosus	epidermal growth factor receptor	0.0273	0.1991	0.1967
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0032	0.003	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0033	0.0011
Echinococcus multilocularis	SH2 motif	0.0033	0.0033	0.0003
Loa Loa (eye worm)	SH2 domain-containing protein	0.0033	0.0033	0.0011
Schistosoma mansoni	SH2A	0.0033	0.0033	0.0003
Schistosoma mansoni	tyrosine kinase	0.0099	0.0572	0.0555
Schistosoma mansoni	tyrosine kinase	0.0205	0.1441	0.1444
Echinococcus multilocularis	tensin	0.0033	0.0033	0.0003
Loa Loa (eye worm)	TK/FER protein kinase	0.0046	0.0142	0.0431
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.0033	0.0033	0.0003
Brugia malayi	Protein kinase domain containing protein	0.0046	0.0142	0.0431
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0042	0.0109	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0033	0.0011
Loa Loa (eye worm)	SRC-1	0.0099	0.0572	0.208
Echinococcus granulosus	signal transduction protein lnk realted	0.0033	0.0033	0.0003
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0033	0.0033	0.0011
Leishmania major	p450 reductase, putative	0.0032	0.003	1
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0099	0.0572	0.0544
Schistosoma mansoni	suppressor of cytokine signaling	0.0033	0.0033	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0142	0.0431
Echinococcus granulosus	tyrosine protein kinase Srms	0.0046	0.0142	0.0113
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0032	0.003	0.5
Schistosoma mansoni	hypothetical protein	0.0033	0.0033	0.0003
Onchocerca volvulus		0.0046	0.0142	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0099	0.0572	0.0544
Brugia malayi	SH2 domain containing protein	0.0033	0.0033	0.0011
Loa Loa (eye worm)	TK/FER protein kinase	0.0046	0.0142	0.0431
Loa Loa (eye worm)	TK/FER protein kinase	0.0046	0.0142	0.0431
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0273	0.1991	0.7521
Schistosoma mansoni	nck2/grb4	0.0057	0.023	0.0205
Echinococcus granulosus	SH2 motif	0.0033	0.0033	0.0003
Echinococcus granulosus	SH2 domain containing adapter protein F	0.0033	0.0033	0.0003
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0044	0.0124	0.0359
Onchocerca volvulus		0.0046	0.0142	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0046	0.0142	0.0431
Echinococcus multilocularis	epidermal growth factor receptor	0.0205	0.1441	0.1415
Plasmodium falciparum	nitric oxide synthase, putative	0.0032	0.003	0.5
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0033	0.0033	0.0003
Echinococcus granulosus	SHC transforming protein 3	0.0033	0.0033	0.0003
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0057	0.023	0.0768
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0046	0.0142	0.0113
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0099	0.0572	0.0544
Echinococcus granulosus	SH2 motif	0.0033	0.0033	0.0003
Loa Loa (eye worm)	SH2 domain-containing protein	0.0033	0.0033	0.0011
Brugia malayi	Protein kinase domain containing protein	0.0046	0.0142	0.0431
Brugia malayi	Protein kinase domain containing protein	0.0153	0.1014	0.3775
Schistosoma mansoni	tensin	0.0033	0.0033	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0033	0.0011
Giardia lamblia	Hypothetical protein	0.0029	0	0.5
Schistosoma mansoni	tyrosine kinase	0.0313	0.232	0.2343
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	0.0352	0.2637	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.007	0.0336	0.1172
Echinococcus multilocularis	N chimaerin	0.0033	0.0033	0.0003
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0032	0.003	1
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0205	0.1441	0.1415
Brugia malayi	Sex muscle abnormal protein 5	0.0057	0.023	0.0768
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0033	0.0033	0.0011
Echinococcus granulosus	tyrosine kinase	0.0075	0.0375	0.0346
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0057	0.023	0.0768
Brugia malayi	cytokine inducible SH2-containing protein 5	0.0033	0.0033	0.0011
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0033	0.0033	0.0003
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0075	0.0375	0.0346
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0032	0.003	0.5
Brugia malayi	Protein kinase domain containing protein	0.0046	0.0142	0.0431
Onchocerca volvulus		0.0046	0.0142	1
Echinococcus multilocularis		0.0078	0.0407	0.0378
Giardia lamblia	Nitric oxide synthase, inducible	0.0029	0	0.5
Brugia malayi	SH2 domain containing protein	0.0046	0.0142	0.0431
Brugia malayi	Protein kinase domain containing protein	0.0046	0.0142	0.0431
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0033	0.0033	0.0003
Brugia malayi	SH2 domain containing protein	0.0033	0.0033	0.0011
Schistosoma mansoni	tyrosine kinase	0.007	0.034	0.0317
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0032	0.003	0.5
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.1254	1	1
Schistosoma mansoni	tensin	0.0033	0.0033	0.0003
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0032	0.003	0.5
Schistosoma mansoni	tensin	0.0033	0.0033	0.0003
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0099	0.0572	0.0544
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0099	0.0572	0.0544
Brugia malayi	Tyrosine-protein kinase abl-1	0.007	0.034	0.1188
Echinococcus granulosus	tyrosine protein kinase Blk	0.0075	0.0375	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0124	0.0359
Echinococcus granulosus	NCK adaptor protein	0.0057	0.023	0.0201
Echinococcus multilocularis	epidermal growth factor receptor	0.0273	0.1991	0.1967
Echinococcus granulosus	tyrosine protein kinase HCK	0.0042	0.0109	0.0079

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 11.7 uM	Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20 hrs relative to control	ChEMBL.	21978950
IC50 (functional)	= 14.7 uM	Antiproliferative activity against human MCF7 cells after 72 hrs by SRB assay	ChEMBL.	21978950
Inhibition (binding)	= 39.9 %	Inhibition of aromatase at 50 uM after 10 mins preincubation by plate reader relative to control	ChEMBL.	21978950
Inhibition (binding)	= 64.7 %	Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells at 50 uM pretreated 15 mins before LPS challenge measured after 20 hrs relative to control	ChEMBL.	21978950
Survival (functional)	= 9.9 %	Antiproliferative activity against human MCF7 cells assessed as survival at 50 uM after 72 hrs by SRB assay relative to control	ChEMBL.	21978950
Survival (binding)	= 30.6 %	Induction of quinone reductase 1 activity in mouse Hepa-1c1c7 cells assessed as cell survival at 50 uM by MTT assay relative to control	ChEMBL.	21978950
Survival (binding)	= 63.2 %	Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells assessed as cell survival at 50 uM pretreated 15 mins before LPS challenge measured after 20 hrs relative to control	ChEMBL.	21978950

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21978950

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: CHEMBL1915174

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1568787