TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 495.587 | Formula: C27H29NO6S
H donors: 1 H acceptors: 4 LogP: 4.54 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C([C@@H]1N2C(=O)/C(=C/OC(=O)C(C)(C)C)/[C@H]2[S+](C1(C)C)[O-])OC(c1ccccc1)c1ccccc1
InChi: 1S/C27H29NO6S/c1-26(2,3)25(31)33-16-19-22(29)28-21(27(4,5)35(32)23(19)28)24(30)34-20(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16,20-21,23H,1-5H3/b19-16-/t21-,23+,35?/m0/s1
InChiKey: PHYVITGAJFXGIF-HWVZIKDZSA-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

No curated genes were found associated with this compound

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
Brugia malayi	SH2 domain containing protein	0.0371	0.0519	0.0519
Schistosoma mansoni	intracisternal A-particle retropepsin (A02 family)	0.1248	0.1973	0.6909
Brugia malayi	Spectrin alpha chain	0.0218	0.0265	0.0265
Loa Loa (eye worm)	TK/FER protein kinase	0.0422	0.0603	0.0603
Schistosoma mansoni	growth factor receptor-bound protein	0.1778	0.2853	1
Onchocerca volvulus		0.0371	0.0519	0.8607
Loa Loa (eye worm)	TK protein kinase	0.0938	0.1459	0.1459
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.3074	0.5001	1
Echinococcus granulosus	SH2 domain containing adapter protein F	0.0371	0.0519	0.1038
Schistosoma mansoni	tensin	0.0371	0.0519	0.1804
Echinococcus multilocularis	N chimaerin	0.0371	0.0519	0.1038
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.1526	0.2434	0.4868
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0341	0.0469	0.0469
Brugia malayi	Variant SH3 domain containing protein	0.0218	0.0265	0.0265
Echinococcus granulosus	tyrosine kinase	0.0422	0.0603	0.1206
Loa Loa (eye worm)	hypothetical protein	0.0589	0.088	0.088
Loa Loa (eye worm)	TK/FER protein kinase	0.0422	0.0603	0.0603
Schistosoma mansoni	tyrosine kinase	0.0639	0.0964	0.3366
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.1526	0.2434	0.4868
Echinococcus granulosus	tyrosine protein kinase Lyn	0.1526	0.2434	0.4868
Schistosoma mansoni	tensin	0.0371	0.0519	0.1804
Echinococcus multilocularis	tensin	0.0371	0.0519	0.1038
Echinococcus multilocularis	SH2 motif	0.0371	0.0519	0.1038
Onchocerca volvulus		0.0422	0.0603	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.1309	0.2074	0.4147
Brugia malayi	protein-tyrosine kinase	0.0218	0.0265	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0371	0.0519	0.0519
Schistosoma mansoni	apoptosis stimulating of P53	0.0218	0.0265	0.091
Loa Loa (eye worm)	hypothetical protein	0.0218	0.0265	0.0265
Trichomonas vaginalis	conserved hypothetical protein	0.0218	0.0265	0.5
Loa Loa (eye worm)	SH2 domain-containing protein	0.0371	0.0519	0.0519
Schistosoma mansoni	tyrosine kinase	0.1526	0.2434	0.853
Brugia malayi	SH2 domain containing protein	0.0371	0.0519	0.0519
Echinococcus granulosus	tm gpcr rhodopsin	0.3074	0.5001	1
Onchocerca volvulus		0.0371	0.0519	0.8607
Schistosoma mansoni	hypothetical protein	0.0218	0.0265	0.091
Brugia malayi	Src substrate cortactin	0.0218	0.0265	0.0265
Trichomonas vaginalis	p67phox protein, putative	0.0218	0.0265	0.5
Echinococcus granulosus	endophilin A3	0.0218	0.0265	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0371	0.0519	0.0519
Brugia malayi	Variant SH3 domain containing protein	0.0589	0.088	0.088
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.1951	0.3139	0.6278
Schistosoma mansoni	nck2/grb4	0.0589	0.088	0.3071
Schistosoma mansoni	serine/threonine protein kinase	0.0268	0.0349	0.1205
Brugia malayi	Myosin tail family protein	0.0218	0.0265	0.0265
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.0371	0.0519	0.0519
Brugia malayi	Variant SH3 domain containing protein	0.0371	0.0519	0.0519
Echinococcus granulosus	suppressor of cytokine signaling 6	0.0371	0.0519	0.1038
Echinococcus granulosus	tyrosine protein kinase Src42A	0.1258	0.199	0.3978
Schistosoma mansoni	development and differentiation-enhancing factor ddef	0.0218	0.0265	0.091
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0371	0.0519	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0371	0.0519	0.0519
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0218	0.0265	0.0265
Brugia malayi	Protein kinase domain containing protein	0.0422	0.0603	0.0603
Echinococcus granulosus	Spectrin alpha actinin	0.0218	0.0265	0.0529
Schistosoma mansoni	tensin-related	0.0424	0.0607	0.2113
Echinococcus granulosus	tyrosine protein kinase Fyn	0.1526	0.2434	0.4868
Loa Loa (eye worm)	SRC-1	0.1526	0.2434	0.2434
Schistosoma mansoni	tyrosine kinase	0.0639	0.0964	0.3366
Schistosoma mansoni	tensin-related	0.0424	0.0607	0.2113
Echinococcus granulosus	hypothetical protein	0.0371	0.0519	0.1038
Schistosoma mansoni	tyrosine kinase	0.158	0.2524	0.8846
Brugia malayi	Variant SH3 domain containing protein	0.0218	0.0265	0.0265
Echinococcus granulosus	tyrosine protein kinase Srms	0.0422	0.0603	0.1206
Echinococcus multilocularis	tensin	0.0424	0.0607	0.1214
Echinococcus granulosus	src region	0.0218	0.0265	0.0529
Echinococcus multilocularis	intersectin 2	0.0218	0.0265	0.0529
Brugia malayi	Fes/CIP4 homology domain containing protein	0.0218	0.0265	0.0265
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0227	0.028	0.0965
Echinococcus granulosus	tensin	0.0371	0.0519	0.1038
Echinococcus granulosus	SHC transforming protein 3	0.1638	0.2619	0.5238
Echinococcus granulosus	tyrosine kinase	0.1309	0.2074	0.4147
Schistosoma mansoni	eps8-related protein	0.0218	0.0265	0.091
Entamoeba histolytica	SH2 domain containing protein	0.0371	0.0519	0.2132
Brugia malayi	Guanylate kinase family protein	0.0218	0.0265	0.0265
Brugia malayi	SH3 domain containing protein	0.0218	0.0265	0.0265
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0589	0.088	0.088
Trypanosoma cruzi	hypothetical protein, conserved	0.0218	0.0265	0.5
Onchocerca volvulus		0.0218	0.0265	0.4389
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.0371	0.0519	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0371	0.0519	0.0519
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0422	0.0603	0.1206
Loa Loa (eye worm)	protein kinase C and casein kinase substrate in neurons protein 2	0.0218	0.0265	0.0265
Onchocerca volvulus		0.0422	0.0603	1
Brugia malayi	SH2 domain containing protein	0.0371	0.0519	0.0519
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0371	0.0519	0.1038
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.038	0.0534	0.1854
Brugia malayi	Variant SH3 domain containing protein	0.0218	0.0265	0.0265
Brugia malayi	SH2 domain containing protein	0.0371	0.0519	0.0519
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.1526	0.2434	0.4868
Brugia malayi	SH2 domain containing protein	0.0371	0.0519	0.0519
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0938	0.1459	0.2917
Schistosoma mansoni	shc transforming protein	0.0424	0.0607	0.2113
Schistosoma mansoni	tyrosine kinase	0.0422	0.0603	0.2099
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0371	0.0519	0.1038
Echinococcus granulosus	SH2 motif	0.0371	0.0519	0.1038
Trypanosoma cruzi	paraflagellar rod protein 5, putative	0.0218	0.0265	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0218	0.0265	0.5
Trypanosoma brucei	conserved protein	0.0218	0.0265	0.5
Echinococcus granulosus	hematopoietic lineage cell specific protein	0.0218	0.0265	0.0529
Onchocerca volvulus		0.0371	0.0519	0.8607
Echinococcus multilocularis	rho guanine nucleotide exchange factor 7	0.0218	0.0265	0.0529
Brugia malayi	SH2 domain containing protein	0.0422	0.0603	0.0603
Loa Loa (eye worm)	hypothetical protein	0.0371	0.0519	0.0519
Onchocerca volvulus		0.0422	0.0603	1
Echinococcus multilocularis	signal transduction protein lnk realted	0.0371	0.0519	0.1038
Loa Loa (eye worm)	guanylate kinase	0.0218	0.0265	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0218	0.0265	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0371	0.0519	0.0519
Echinococcus granulosus	SH2 motif	0.0371	0.0519	0.1038
Brugia malayi	Variant SH3 domain containing protein	0.0218	0.0265	0.0265
Echinococcus multilocularis	nostrin	0.0218	0.0265	0.0529
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0065	0.0011	0.0011
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.1526	0.2434	0.4868
Brugia malayi	SH2 domain containing protein	0.0371	0.0519	0.0519
Schistosoma mansoni	vav2	0.0371	0.0519	0.1804
Trichomonas vaginalis	conserved hypothetical protein	0.0218	0.0265	0.5
Echinococcus granulosus	fch and double sh3 domains protein 2	0.0218	0.0265	0.0529
Echinococcus granulosus	tyrosine protein kinase Fyn	0.1526	0.2434	0.4868
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0341	0.0469	0.0938
Echinococcus granulosus	growth factor receptor bound protein 2	0.1778	0.2853	0.5704
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0133	0.0125	0.025
Echinococcus multilocularis	endophilin A3	0.0218	0.0265	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0422	0.0603	0.0603
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.1526	0.2434	0.4868
Loa Loa (eye worm)	p53BP2	0.0218	0.0265	0.0265
Echinococcus granulosus	expressed protein	0.0366	0.0511	0.1022
Brugia malayi	SH2 domain containing protein	0.0371	0.0519	0.0519
Schistosoma mansoni	hypothetical protein	0.0133	0.0125	0.0419
Echinococcus granulosus	suppressor of cytokine signaling 7	0.0371	0.0519	0.1038
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.0371	0.0519	0.1038
Schistosoma mansoni	sh3-containing grb2-like protein 1 (endophilin II)	0.0218	0.0265	0.091
Loa Loa (eye worm)	TK protein kinase	0.1309	0.2074	0.2074
Loa Loa (eye worm)	hypothetical protein	0.0218	0.0265	0.0265
Loa Loa (eye worm)	TK/FER protein kinase	0.0422	0.0603	0.0603
Echinococcus multilocularis	transfer RNA-Ala	0.0218	0.0265	0.0529
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.038	0.0534	0.1067
Brugia malayi	protein-tyrosine kinase	0.1309	0.2074	0.2074
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0133	0.0125	0.025
Brugia malayi	RhoGAP domain containing protein	0.0371	0.0519	0.0519
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1309	0.2074	0.4147
Brugia malayi	tRNA modification GTPase TrmE family protein	0.0371	0.0519	0.0519
Echinococcus granulosus	arf GAP with SH3 domain ANK repeat and PH	0.0218	0.0265	0.0529
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0639	0.0964	0.1928
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0341	0.0469	0.0469
Brugia malayi	Variant SH3 domain containing protein	0.0218	0.0265	0.0265
Onchocerca volvulus		0.0218	0.0265	0.4389
Entamoeba histolytica	protein kinase, putative	0.0938	0.1459	1
Brugia malayi	Protein kinase domain containing protein	0.0422	0.0603	0.0603
Echinococcus multilocularis	SH2 domain containing protein 7	0.0371	0.0519	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0371	0.0519	0.0519
Echinococcus granulosus	breast cancer anti estrogen resistance protein	0.0218	0.0265	0.0529
Echinococcus multilocularis	SH2 motif	0.0371	0.0519	0.1038
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0639	0.0964	0.1928
Trypanosoma cruzi	hypothetical protein, conserved	0.0218	0.0265	0.5
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.038	0.0534	0.1067
Schistosoma mansoni	C-fyn	0.0218	0.0265	0.091
Loa Loa (eye worm)	hypothetical protein	0.0371	0.0519	0.0519
Loa Loa (eye worm)	hypothetical protein	0.0371	0.0519	0.0519
Onchocerca volvulus	Suppressor of cytokine signaling at 36E homolog	0.0371	0.0519	0.8607
Echinococcus granulosus	epidermal growth factor receptor kinase	0.0218	0.0265	0.0529
Echinococcus granulosus	c src tyrosine kinase	0.0639	0.0964	0.1928
Onchocerca volvulus		0.0371	0.0519	0.8607
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0371	0.0519	0.0519
Onchocerca volvulus		0.0218	0.0265	0.4389
Schistosoma mansoni	signal transducing adapter molecule (stam)	0.0218	0.0265	0.091
Brugia malayi	Tyrosine-protein kinase abl-1	0.0945	0.1471	0.1471
Brugia malayi	Variant SH3 domain containing protein	0.0371	0.0519	0.0519
Loa Loa (eye worm)	TK/ABL protein kinase	0.1951	0.3139	0.3139
Loa Loa (eye worm)	TK/FER protein kinase	0.0422	0.0603	0.0603
Echinococcus multilocularis	tyrosine protein kinase Blk	0.1309	0.2074	0.4147
Loa Loa (eye worm)	protein-tyrosine kinase	0.0218	0.0265	0.0265
Schistosoma mansoni	SH2A	0.0371	0.0519	0.1804
Loa Loa (eye worm)	SH2 domain-containing protein	0.0371	0.0519	0.0519
Schistosoma mansoni	Dab2-interacting protein-like	0.0218	0.0265	0.091
Loa Loa (eye worm)	STAT protein	0.6089	1	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0639	0.0964	0.3366
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1526	0.2434	0.4868
Echinococcus multilocularis		0.0371	0.0519	0.1038
Brugia malayi	Protein kinase domain containing protein	0.0422	0.0603	0.0603
Schistosoma mansoni	dynamin-associated protein	0.0218	0.0265	0.091
Echinococcus granulosus	intersectin 2	0.0218	0.0265	0.0529
Echinococcus granulosus	tyrosine protein kinase Blk	0.1309	0.2074	0.4147
Echinococcus multilocularis	SH2 motif	0.0371	0.0519	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0371	0.0519	0.0519
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0371	0.0519	0.1804
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0422	0.0603	0.1206
Echinococcus granulosus	N chimaerin	0.0371	0.0519	0.1038
Schistosoma mansoni	tyrosine kinase	0.1526	0.2434	0.853
Loa Loa (eye worm)	hypothetical protein	0.0218	0.0265	0.0265
Echinococcus multilocularis	Spectrin alpha actinin	0.0218	0.0265	0.0529
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0341	0.0469	0.1627
Trichomonas vaginalis	neutrophil cytosolic factor 2, neutrophil NADPH oxidase factor, putative	0.0218	0.0265	0.5
Loa Loa (eye worm)	hypothetical protein	0.0371	0.0519	0.0519
Echinococcus multilocularis	fch and double sh3 domains protein 2	0.0218	0.0265	0.0529
Echinococcus granulosus	SH2 domain containing protein 7	0.0371	0.0519	0.1038
Echinococcus multilocularis	expressed protein	0.0366	0.0511	0.1022
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0371	0.0519	0.1038
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0371	0.0519	0.1038
Loa Loa (eye worm)	TK/FER protein kinase	0.0422	0.0603	0.0603
Brugia malayi	cytokine inducible SH2-containing protein 5	0.0371	0.0519	0.0519
Echinococcus multilocularis	breast cancer anti estrogen resistance protein	0.0218	0.0265	0.0529
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0371	0.0519	0.0519
Loa Loa (eye worm)	thyroid receptor interactor	0.0218	0.0265	0.0265
Loa Loa (eye worm)	TK/FER protein kinase	0.0422	0.0603	0.0603
Echinococcus granulosus	tyrosine protein kinase Src42A	0.1526	0.2434	0.4868
Echinococcus granulosus	tyrosine protein kinase Fyn	0.1526	0.2434	0.4868
Echinococcus granulosus	expressed protein	0.0218	0.0265	0.0529
Onchocerca volvulus		0.0422	0.0603	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0341	0.0469	0.0938
Brugia malayi	Variant SH3 domain containing protein	0.0218	0.0265	0.0265
Echinococcus multilocularis	hematopoietic lineage cell specific protein	0.0218	0.0265	0.0529
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0371	0.0519	0.2132
Schistosoma mansoni	tensin	0.0371	0.0519	0.1804
Schistosoma mansoni	thyroid hormone receptor	0.0144	0.0143	0.0481
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0144	0.0143	0.0285
Schistosoma mansoni	thyroid hormone receptor	0.0144	0.0143	0.0481
Echinococcus multilocularis	SHC transforming protein 3	0.1638	0.2619	0.5238
Brugia malayi	Tyrosine-protein kinase abl-1	0.1224	0.1934	0.1934
Echinococcus multilocularis	tyrosine protein kinase shark	0.0422	0.0603	0.1206
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0371	0.0519	0.1038
Brugia malayi	Protein kinase domain containing protein	0.0422	0.0603	0.0603
Loa Loa (eye worm)	TK/FER protein kinase	0.0422	0.0603	0.0603
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.1309	0.2074	0.4147
Schistosoma mansoni	hypothetical protein	0.0371	0.0519	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0218	0.0265	0.0265
Echinococcus granulosus	slit robo rho gtpase activating protein 1	0.0218	0.0265	0.0529
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0589	0.088	0.3071
Trichomonas vaginalis	conserved hypothetical protein	0.0218	0.0265	0.5
Echinococcus granulosus	tyrosine protein kinase HCK	0.0938	0.1459	0.2917
Schistosoma mansoni	suppressor of cytokine signaling	0.0371	0.0519	0.1804
Loa Loa (eye worm)	TK/FER protein kinase	0.0422	0.0603	0.0603
Schistosoma mansoni	suppressor of cytokine signaling	0.0371	0.0519	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0218	0.0265	0.0265
Brugia malayi	Tensin	0.0371	0.0519	0.0519
Trichomonas vaginalis	conserved hypothetical protein	0.0218	0.0265	0.5
Brugia malayi	Variant SH3 domain containing protein	0.0589	0.088	0.088
Echinococcus multilocularis	expressed protein	0.0218	0.0265	0.0529
Echinococcus granulosus	tyrosine protein kinase Src64B	0.1526	0.2434	0.4868
Schistosoma mansoni	sorbin	0.0218	0.0265	0.091
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1526	0.2434	0.4868
Schistosoma mansoni	slit-robo rho gtpase activating protein	0.0218	0.0265	0.091
Schistosoma mansoni	growth factor receptor-bound protein	0.1778	0.2853	1
Echinococcus granulosus	signal transduction protein lnk realted	0.0371	0.0519	0.1038
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0422	0.0603	0.2836
Schistosoma mansoni	formin binding protein and related proteins	0.0218	0.0265	0.091
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0371	0.0519	0.1038
Schistosoma mansoni	tyrosine kinase	0.0422	0.0603	0.2099
Echinococcus multilocularis	epidermal growth factor receptor kinase	0.0218	0.0265	0.0529
Brugia malayi	hypothetical protein	0.0371	0.0519	0.0519
Onchocerca volvulus	Suppressor of cytokine signaling 7 homolog	0.0371	0.0519	0.8607
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.1778	0.2853	0.2853
Loa Loa (eye worm)	hypothetical protein	0.0424	0.0607	0.0607
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.038	0.0534	0.0534
Loa Loa (eye worm)	TK/FER protein kinase	0.0422	0.0603	0.0603
Schistosoma mansoni	signal transduction protein lnk-related	0.0371	0.0519	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0218	0.0265	0.0265
Echinococcus multilocularis	tyrosine protein kinase Abl	0.1224	0.1934	0.3867
Trichomonas vaginalis	conserved hypothetical protein	0.0218	0.0265	0.5
Echinococcus multilocularis	NCK adaptor protein	0.0589	0.088	0.1759
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.0371	0.0519	0.1038
Schistosoma mansoni	sorting nexin	0.0218	0.0265	0.091
Schistosoma mansoni	run and tbc1 domain containing	0.0218	0.0265	0.091
Trypanosoma cruzi	hypothetical protein, conserved	0.0218	0.0265	0.5
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.1526	0.2434	0.4868
Brugia malayi	hypothetical protein	0.0422	0.0603	0.0603
Brugia malayi	Sex muscle abnormal protein 5	0.1778	0.2853	0.2853
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.038	0.0534	0.1067
Onchocerca volvulus		0.0371	0.0519	0.8607
Loa Loa (eye worm)	hypothetical protein	0.0636	0.0958	0.0958
Echinococcus granulosus	rho guanine nucleotide exchange factor 7	0.0218	0.0265	0.0529
Echinococcus granulosus	expressed conserved protein	0.0371	0.0519	0.1038
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.038	0.0534	0.0534
Echinococcus multilocularis	growth factor receptor bound protein 2	0.1778	0.2853	0.5704
Echinococcus granulosus	NCK adaptor protein	0.0589	0.088	0.1759
Echinococcus multilocularis	c src tyrosine kinase	0.0639	0.0964	0.1928
Onchocerca volvulus		0.0422	0.0603	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.1258	0.199	0.3978
Schistosoma mansoni	GTPase activating protein	0.0371	0.0519	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0371	0.0519	0.0519
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.1526	0.2434	0.4868
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1526	0.2434	0.4868
Schistosoma mansoni	dreadlocks/dock	0.0218	0.0265	0.091
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.1526	0.2434	0.4868
Brugia malayi	SH2 domain containing protein	0.0422	0.0603	0.0603
Loa Loa (eye worm)	hypothetical protein	0.0218	0.0265	0.0265
Echinococcus granulosus	tyrosine protein kinase shark	0.0422	0.0603	0.1206
Onchocerca volvulus	Putative cortactin	0.0218	0.0265	0.4389
Brugia malayi	SRC-1	0.1526	0.2434	0.2434
Loa Loa (eye worm)	TK/FER protein kinase	0.0422	0.0603	0.0603
Onchocerca volvulus		0.0218	0.0265	0.4389
Onchocerca volvulus		0.0218	0.0265	0.4389
Schistosoma mansoni	hypothetical protein	0.0218	0.0265	0.091
Schistosoma mansoni	cell polarity protein	0.0218	0.0265	0.091
Onchocerca volvulus		0.0371	0.0519	0.8607
Echinococcus multilocularis	slit robo rho gtpase activating protein 1	0.0218	0.0265	0.0529
Loa Loa (eye worm)	SH2 domain-containing protein	0.0371	0.0519	0.0519
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0065	0.0011	0.0011
Schistosoma mansoni	adapter molecule crk	0.0589	0.088	0.3071
Loa Loa (eye worm)	hypothetical protein	0.0371	0.0519	0.0519
Entamoeba histolytica	protein kinase, putative	0.0371	0.0519	0.2132
Leishmania major	hypothetical protein, conserved	0.0218	0.0265	0.5
Brugia malayi	Protein kinase domain containing protein	0.0422	0.0603	0.0603
Brugia malayi	Peripheral plasma membrane protein CASK	0.0218	0.0265	0.0265
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.038	0.0534	0.1067
Echinococcus granulosus	tyrosine protein kinase ABL1	0.1951	0.3139	0.6278
Echinococcus multilocularis	arf GAP with SH3 domain, ANK repeat and PH	0.0218	0.0265	0.0529
Echinococcus multilocularis	tyrosine kinase	0.0422	0.0603	0.1206
Onchocerca volvulus		0.0422	0.0603	1
Loa Loa (eye worm)	hypothetical protein	0.0218	0.0265	0.0265
Schistosoma mansoni	hypothetical protein	0.0371	0.0519	0.1804
Echinococcus granulosus	nostrin	0.0218	0.0265	0.0529
Onchocerca volvulus	LIM and SH3 domain protein homolog	0.0218	0.0265	0.4389
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.0371	0.0519	0.1804
Trichomonas vaginalis	conserved hypothetical protein	0.0218	0.0265	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 12.1 uM	In vitro inhibitory activity against mouse melanoma cell line (B16) using CV coloration	ChEMBL.	14684317
IC50 (functional)	= 16.1 uM	In vitro cytotoxic concentration against mouse hepatoma cell line (MG-22A) using MTT coloration	ChEMBL.	14684317
IC50 (functional)	= 16.1 uM	In vitro inhibitory activity against mouse fibroblasts (3T3) cell line using CV coloration	ChEMBL.	14684317
IC50 (functional)	= 18.5 uM	In vitro cytotoxic concentration against mouse fibroblasts (3T3) cell line using MTT coloration	ChEMBL.	14684317
IC50 (functional)	= 20.2 uM	In vitro cytotoxic concentration against human fibrosarcoma cell line (HT-1080) using MTT coloration	ChEMBL.	14684317
IC50 (functional)	= 20.2 uM	In vitro cytotoxic concentration against mouse melanoma cell line (B16) using MTT coloration	ChEMBL.	14684317
IC50 (functional)	= 24.1 uM	In vitro inhibitory activity against human fibrosarcoma cell line (HT-1080) using CV coloration	ChEMBL.	14684317
IC50 (functional)	= 24.2 uM	In vitro inhibitory activity against mouse neuroblastoma (neuro 2A) using CV coloration	ChEMBL.	14684317
IC50 (functional)	= 121 uM	In vitro inhibitory activity against mouse hepatoma cell line (MG-22A) using CV coloration	ChEMBL.	14684317
IC50 (functional)	> 200 uM	In vitro cytotoxic concentration against mouse neuroblastoma (neuro 2A) using MTT coloration	ChEMBL.	14684317
TG100 (functional)	= 31 uM	Concentration of NO in supernatant generated by mouse neuroblastoma (neuro 2A) was determined using NR coloration	ChEMBL.	14684317
TG100 (functional)	= 566 uM	Concentration of NO in supernatant generated by mouse melanoma cell line (B16) was determined using NR coloration	ChEMBL.	14684317
TG100 (functional)	= 750 uM	Concentration of NO in supernatant generated by human fibrosarcoma cell line (HT-1080) was determined using NR coloration	ChEMBL.	14684317
TG100 (functional)	= 750 uM	Concentration of NO in supernatant generated by mouse hepatoma cell line (MG-22A) was determined using NR coloration	ChEMBL.	14684317

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	14684317

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.

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External resources for this compound

ChEMBL: CHEMBL559155

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1191523