TDR Targets

Basic information

Technical information

TDR Targets ID: 201405
Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7 -(trifluoromethoxy)quinolin-6-yl]-4-(dimethyl amino)but-2-enamide
MW: 507.868 | Formula: C23H18ClF4N5O2
H donors: 2 H acceptors: 3 LogP: 5.38 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: N#Cc1cnc2c(c1Nc1ccc(c(c1)Cl)F)cc(c(c2)OC(F)(F)F)NC(=O)/C=C/CN(C)C
InChi: 1S/C23H18ClF4N5O2/c1-33(2)7-3-4-21(34)32-19-9-15-18(10-20(19)35-23(26,27)28)30-12-13(11-29)22(15)31-14-5-6-17(25)16(24)8-14/h3-6,8-10,12H,7H2,1-2H3,(H,30,31)(H,32,34)/b4-3+
InChiKey: TVFXIBINWPOVQP-ONEGZZNKSA-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

(E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-(trifluoromethoxy)-6-quinolyl]-4-(dimethylamino)but-2-enamide
(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-(trifluoromethoxy)-6-quinolyl]-4-(dimethylamino)-2-butenamide
(E)-N-[4-[(3-chloro-4-fluoro-phenyl)amino]-3-cyano-7-(trifluoromethoxy)quinolin-6-yl]-4-(dimethylamino)but-2-enamide
(E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-(trifluoromethoxy)quinolin-6-yl]-4-dimethylaminobut-2-enamide
(E)-N-[4-[(3-chloro-4-fluoro-phenyl)amino]-3-cyano-7-(trifluoromethoxy)-6-quinolyl]-4-dimethylamino-but-2-enamide
(E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-(trifluoromethoxy)-6-quinolyl]-4-dimethylaminobut-2-enamide
(E)-N-[4-[(3-chloro-4-fluoro-phenyl)amino]-3-cyano-7-(trifluoromethoxy)quinolin-6-yl]-4-dimethylamino-but-2-enamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	epidermal growth factor receptor	Starlite/ChEMBL	References
Homo sapiens	erb-b2 receptor tyrosine kinase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Furin-like cysteine rich region family protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-4 precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-2 precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	IPR000494,EGF receptor, L domain,domain-containing	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	ko:K05085 receptor tyrosine-protein kinase erbB-4, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis		Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Loa Loa (eye worm)	TK/EGFR protein kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Tyrosine-protein kinase transforming protein erbB, putative	Get druggable targets OG5_128597	All targets in OG5_128597

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0084	0.1279	0.1829
Schistosoma mansoni	serine/threonine protein kinase	0.0097	0.1558	0.2229
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0412	0.0804
Loa Loa (eye worm)	hypothetical protein	0.004	0.0374	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0768	0.1099
Schistosoma mansoni	tyrosine kinase	0.0191	0.3503	0.5013
Trypanosoma brucei	Aminopeptidase M1, putative	0.0034	0.0246	0.1258
Schistosoma mansoni	tyrosine kinase	0.0194	0.3545	0.5073
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Brugia malayi	beta-lactamase family protein	0.0042	0.0412	0.0512
Loa Loa (eye worm)	tubulin beta chain	0.0025	0.0057	0.0081
Schistosoma mansoni	dopamine-beta-monooxygenase	0.012	0.2028	0.2902
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0226	0.4218	0.4185
Treponema pallidum	mcbG protein	0.0022	0.0004	0.5
Brugia malayi	Matrixin family protein	0.0059	0.0768	0.1026
Echinococcus granulosus	intermediate filament protein	0.0031	0.0195	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0183	0.0261
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Plasmodium falciparum	tubulin beta chain	0.0025	0.0057	0.0338
Entamoeba histolytica	protein kinase , putative	0.0097	0.1558	1
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0034	0.0246	0.1553
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0034	0.0246	0.0351
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0131	0.2255	1
Schistosoma mansoni	lamin	0.0031	0.0195	0.0278
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0412	0.3954
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0034	0.0246	0.1258
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0412	0.0589
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0034	0.0246	0.019
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Schistosoma mansoni	tubulin subunit beta	0.0025	0.0057	0.0081
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0195	0.0278
Echinococcus multilocularis	beta tubulin	0.0025	0.0057	0.0057
Mycobacterium ulcerans	lipase LipD	0.0042	0.0412	0.3954
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.004	0.0376	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0226	0.4218	0.6035
Echinococcus multilocularis	epidermal growth factor receptor	0.036	0.6988	0.6988
Loa Loa (eye worm)	TK/EGFR protein kinase	0.036	0.6988	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0034	0.0246	0.0351
Schistosoma mansoni	tubulin subunit beta	0.0025	0.0057	0.0081
Loa Loa (eye worm)	AUR protein kinase	0.0097	0.1558	0.2229
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0034	0.0246	0.0246
Echinococcus granulosus	epidermal growth factor receptor	0.0194	0.3545	0.3508
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0412	0.0804
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0412	0.3954
Trypanosoma cruzi	hypothetical protein, conserved	0.0022	0.0004	0.0027
Brugia malayi	Cell death protein 3 precursor	0.0057	0.0729	0.097
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0226	0.4218	0.6035
Echinococcus multilocularis	lamin	0.0031	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0729	0.1043
Loa Loa (eye worm)	beta-tubulin	0.0025	0.0057	0.0081
Loa Loa (eye worm)	AUR protein kinase	0.0097	0.1558	0.2229
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1675	0.2396
Brugia malayi	Furin-like cysteine rich region family protein	0.036	0.6988	1
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0115	0.1925	0.1925
Onchocerca volvulus		0.0059	0.0768	0.2783
Echinococcus granulosus	epidermal growth factor receptor	0.036	0.6988	0.6971
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0768	0.1099
Brugia malayi	Matrixin family protein	0.0143	0.25	0.3524
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0115	0.1925	0.1879
Echinococcus multilocularis		0.0111	0.185	0.185
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0034	0.0246	0.1258
Brugia malayi	serine/threonine protein kinase 6	0.0097	0.1558	0.2166
Loa Loa (eye worm)	aminopeptidase N	0.0034	0.0246	0.0351
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.012	0.2028	0.2844
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0061	0.0806	0.1081
Trichomonas vaginalis	esterase, putative	0.0042	0.0412	0.2364
Loa Loa (eye worm)	hypothetical protein	0.012	0.2028	0.2902
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0034	0.0246	0.019
Mycobacterium ulcerans	hydrolase	0.0072	0.1034	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0412	0.2642
Loa Loa (eye worm)	BEN-1 protein	0.0025	0.0057	0.0081
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Brugia malayi	Matrixin family protein	0.0059	0.0768	0.1026
Trypanosoma cruzi	aurora B kinase, putative	0.0097	0.1558	1
Echinococcus granulosus	lamin dm0	0.0031	0.0195	0.0139
Echinococcus multilocularis	musashi	0.0031	0.0195	0.0195
Brugia malayi	Peptidase family M1 containing protein	0.0115	0.192	0.2688
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Schistosoma mansoni	lamin	0.0031	0.0195	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0412	0.0589
Trichomonas vaginalis	AGC family protein kinase	0.0097	0.1558	1
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Onchocerca volvulus		0.0084	0.1279	0.526
Echinococcus multilocularis	beta tubulin	0.0025	0.0057	0.0057
Echinococcus multilocularis	Tubulin beta 2C chain	0.0025	0.0057	0.0057
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0412	0.0589
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0034	0.0246	0.0246
Echinococcus multilocularis	aminopeptidase N	0.0115	0.192	0.192
Echinococcus multilocularis	caspase 2	0.0057	0.0729	0.0729
Leishmania major	hypothetical protein, conserved	0.0042	0.0412	0.2622
Schistosoma mansoni	hypothetical protein	0.004	0.0374	0.0535
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0412	0.0357
Entamoeba histolytica	aminopeptidase, putative	0.0034	0.0246	0.1258
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0412	0.0589
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0412	0.2364
Echinococcus multilocularis	Tubulin beta 2C chain	0.0025	0.0057	0.0057
Schistosoma mansoni	tyrosine kinase	0.036	0.6988	1
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0097	0.1558	0.1558
Leishmania major	protein kinase, putative	0.0097	0.1558	1
Schistosoma mansoni	tubulin subunit beta	0.0025	0.0057	0.0081
Brugia malayi	serine/threonine kinase 12	0.0097	0.1558	0.2166
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0412	0.0589
Trypanosoma brucei	aurora B kinase	0.0097	0.1558	1
Echinococcus granulosus	aurora kinase A	0.0097	0.1558	0.151
Loa Loa (eye worm)	matrixin family protein	0.0143	0.25	0.3577
Trichomonas vaginalis	AGC family protein kinase	0.0097	0.1558	1
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0034	0.0246	0.1553
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0097	0.1558	0.151
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0194	0.3545	0.3508
Echinococcus granulosus	apoptotic protease activating factor 1	0.004	0.0374	0.0319
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Echinococcus multilocularis	aurora kinase A	0.0097	0.1558	0.1558
Echinococcus multilocularis	Tubulin beta 2C chain	0.0025	0.0057	0.0057
Loa Loa (eye worm)	TK/INSR protein kinase	0.0115	0.1925	0.2754
Trichomonas vaginalis	AGC family protein kinase	0.0097	0.1558	1
Schistosoma mansoni	tyrosine kinase	0.0191	0.3503	0.5013
Schistosoma mansoni	tyrosine kinase	0.0191	0.3503	0.5013
Schistosoma mansoni	tyrosine kinase	0.0115	0.1925	0.2754
Echinococcus multilocularis	tubulin subunit beta	0.0025	0.0057	0.0057
Onchocerca volvulus		0.0042	0.0412	0.1053
Trichomonas vaginalis	AGC family protein kinase	0.0097	0.1558	1
Brugia malayi	hypothetical protein	0.004	0.0374	0.0457
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0506	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0412	0.2364
Entamoeba histolytica	protein kinase, putative	0.0097	0.1558	1
Brugia malayi	intermediate filament protein	0.0031	0.0195	0.0199
Schistosoma mansoni	tyrosine kinase	0.0115	0.1925	0.2754
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1222	0.1748
Echinococcus granulosus	caspase 2	0.0057	0.0729	0.0676
Loa Loa (eye worm)	matrix metalloproteinase	0.0059	0.0768	0.1099
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0034	0.0246	0.0246
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0412	0.0804
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0034	0.0246	0.1576
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0097	0.1558	1
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0412	0.0512
Schistosoma mansoni	tyrosine kinase	0.0194	0.3545	0.5073
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Schistosoma mansoni	caspase-7 (C14 family)	0.0057	0.0729	0.1043
Loa Loa (eye worm)	tubulin beta-2A chain	0.0025	0.0057	0.0081
Schistosoma mansoni	tubulin subunit beta	0.0025	0.0057	0.0081
Onchocerca volvulus	Cell death protein 3 homolog	0.0057	0.0729	0.2592
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0267	0.507	1
Brugia malayi	serine/threonine-protein kinase 6	0.0097	0.1558	0.2166
Giardia lamblia	Aurora kinase	0.0097	0.1558	1
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0195	0.0278
Entamoeba histolytica	protein kinase domain containing protein	0.0097	0.1558	1
Echinococcus multilocularis	tubulin beta 1 chain	0.0025	0.0057	0.0057
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Onchocerca volvulus		0.0115	0.192	0.8373
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0412	0.0804
Loa Loa (eye worm)	tubulin beta-4 chain	0.0025	0.0057	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1034	0.148
Schistosoma mansoni	tubulin subunit beta	0.0025	0.0057	0.0081
Echinococcus multilocularis	Tubulin beta 2C chain	0.0025	0.0057	0.0057
Toxoplasma gondii	ABC1 family protein	0.0042	0.0412	0.2364
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0412	0.0804
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0034	0.0246	0.1576
Schistosoma mansoni	protein kinase	0.0097	0.1558	0.2229
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0412	0.0804
Entamoeba histolytica	protein kinase, putative	0.0097	0.1558	1
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0195	0.0278
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0412	0.2364
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0034	0.0246	0.019
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Schistosoma mansoni	peptidylglycine monooxygenase	0.012	0.2028	0.2902
Brugia malayi	beta-lactamase	0.0042	0.0412	0.0512
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0097	0.1558	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0194	0.3545	0.3545
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0412	0.0589
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0034	0.0246	0.1258
Onchocerca volvulus		0.0034	0.0246	0.0248
Echinococcus multilocularis	insulin receptor	0.0115	0.1925	0.1925
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0768	0.1099
Loa Loa (eye worm)	BEN-1 protein	0.0025	0.0057	0.0081
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0093	0.1467	0.21
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0412	0.0804
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0412	0.2364
Trypanosoma cruzi	aminopeptidase, putative	0.0034	0.0246	0.1576
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0097	0.1558	1
Onchocerca volvulus		0.0042	0.0412	0.1053
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0412	0.0589
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0034	0.0246	0.0246
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0412	0.2364
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0412	0.0804
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0025	0.0057	0.0057
Echinococcus multilocularis	lamin dm0	0.0031	0.0195	0.0195
Leishmania major	beta tubulin	0.0025	0.0057	0.0338
Brugia malayi	hypothetical protein	0.0034	0.0246	0.0272
Trypanosoma brucei	Aminopeptidase M1, putative	0.0034	0.0246	0.1258
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0412	0.0412
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0097	0.1558	1
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0097	0.1558	1
Brugia malayi	Matrixin family protein	0.0059	0.0768	0.1026
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0215	0.3987	0.3953
Loa Loa (eye worm)	matrixin family protein	0.0131	0.2255	0.3227
Brugia malayi	Matrixin family protein	0.0059	0.0768	0.1026
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0412	0.3954
Brugia malayi	Protein kinase domain containing protein	0.0115	0.1925	0.2695
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0412	0.2642
Trypanosoma cruzi	beta tubulin, putative	0.0025	0.0057	0.0364
Loa Loa (eye worm)	AUR protein kinase	0.0097	0.1558	0.2229
Brugia malayi	Peptidase family M1 containing protein	0.0034	0.0246	0.0272
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0072	0.1034	0.141
Echinococcus granulosus	lamin	0.0031	0.0195	0.0139
Onchocerca volvulus	Matrilysin homolog	0.0059	0.0768	0.2783
Trypanosoma cruzi	hypothetical protein, conserved	0.0022	0.0004	0.0027
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0059	0.0768	0.1099
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0226	0.4218	0.6003
Brugia malayi	beta-lactamase family protein	0.0042	0.0412	0.0512
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0072	0.1034	0.2033
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0034	0.0246	0.0246
Echinococcus granulosus	insulin receptor	0.0115	0.1925	0.1879
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0059	0.0769	0.1027
Echinococcus multilocularis	Tubulin beta 2C chain	0.0025	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0195	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0412	0.0589
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0215	0.3987	0.3987
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0034	0.0246	0.019
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0412	0.0589
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0226	0.4218	0.4218
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0412	0.0804
Loa Loa (eye worm)	tubulin beta-1 chain	0.0025	0.0057	0.0081
Echinococcus multilocularis	apoptotic protease activating factor 1	0.004	0.0374	0.0374
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0412	0.3954
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0412	0.2364
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0034	0.0246	0.0246
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0195	0.0199
Mycobacterium leprae	PROBABLE HYDROLASE	0.0072	0.1034	1
Toxoplasma gondii	aurora kinase	0.0097	0.1558	1
Schistosoma mansoni	tubulin subunit beta	0.0025	0.0057	0.0081
Brugia malayi	Hemopexin family protein	0.0084	0.1279	0.1763
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0412	0.0804
Mycobacterium ulcerans	aminopeptidase N PepN	0.0034	0.0246	0.2343
Onchocerca volvulus	Matrilysin homolog	0.0131	0.2255	1
Onchocerca volvulus		0.004	0.0374	0.0869
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0412	0.0589
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0412	0.2364
Onchocerca volvulus		0.0042	0.0412	0.1053
Echinococcus granulosus	aminopeptidase N	0.0115	0.192	0.1874

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.58	Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA	ChEMBL.	17689836
IC50 (functional)	= 0.3 uM	Concentration required to inhibit growth of human carcinoma breast (SKBR3) cell line	ChEMBL.	12502359
IC50 (functional)	= 0.47 uM	Concentration required to inhibit growth of human carcinoma epidermoid (A431) cell line	ChEMBL.	12502359
IC50 (functional)	= 0.47 uM	Concentration required to inhibit growth of human carcinoma epidermoid (A431) cell line	ChEMBL.	12502359
IC50 (functional)	= 1.46 uM	Concentration required to inhibit growth of human carcinoma colon (SW620) cell line	ChEMBL.	12502359
IC50 (functional)	= 1.46 uM	Concentration required to inhibit growth of human carcinoma colon (SW620) cell line	ChEMBL.	12502359
IC50 (binding)	= 2.64 uM	Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor	ChEMBL.	12502359
IC50 (functional)	= 2.64 uM	Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)	ChEMBL.	15177440
IC50 (binding)	= 2.64 uM	Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor	ChEMBL.	12502359
IC50 (functional)	= 2.64 uM	Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)	ChEMBL.	15177440
IC50 (binding)	= 4.13 uM	Concentration required to inhibit autophosphorylation of cytoplasmic domain of human epidermal growth factor receptor-2	ChEMBL.	12502359
IC50 (binding)	= 4.13 uM	Concentration required to inhibit autophosphorylation of cytoplasmic domain of human epidermal growth factor receptor-2	ChEMBL.	12502359

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	12502359

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: CHEMBL421047
PubChem: 10951285

Bibliographic References

3 literature references were collected for this gene.

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Detailed information for compound 201405