TDR Targets

Basic information

Technical information

TDR Targets ID: 145064
Name: 5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-trimet hoxybenzene
MW: 349.219 | Formula: C17H17BrO3
H donors: 0 H acceptors: 0 LogP: 4.8 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(/C=C/c2ccc(cc2)Br)cc(c1OC)OC
InChi: 1S/C17H17BrO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11H,1-3H3/b5-4+
InChiKey: UBBBWYGKBDCYDY-SNAWJCMRSA-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

5-[(E)-2-(4-bromophenyl)vinyl]-1,2,3-trimethoxy-benzene
5-[(E)-2-(4-bromophenyl)vinyl]-1,2,3-trimethoxybenzene
5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxy-benzene
5-[2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene
5-[2-(4-bromophenyl)vinyl]-1,2,3-trimethoxy-benzene
5-[2-(4-bromophenyl)vinyl]-1,2,3-trimethoxybenzene
5-[2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxy-benzene
NCI60_012871
5-[2-(4-Bromophenyl)Ethenyl]-1,2,3-Trimethoxy Benzene
NSC631362
NCI60_010239

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
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Entamoeba histolytica	protein kinase rad3, putative	0.0164	0.1744	0.1669
Leishmania major	alpha tubulin	0.0033	0.0207	0.0118
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0869	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0033	0.0207	0.0118
Toxoplasma gondii	FATC domain-containing protein	0.0164	0.1744	0.236
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0056	0.0476	0.0643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0292	0.3233	0.3233
Echinococcus multilocularis	Tubulin beta 2C chain	0.0041	0.0304	0.0215
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0056	0.0476	0.0389
Echinococcus multilocularis	tubulin subunit TubB	0.0033	0.0207	0.0118
Echinococcus granulosus	tubulin gamma 1 chain	0.0023	0.009	0.009
Loa Loa (eye worm)	tubulin alpha 2	0.0023	0.0089	0.0036
Brugia malayi	FAT domain containing protein	0.0127	0.1307	0.1228
Mycobacterium leprae	conserved hypothetical protein	0.0056	0.0476	0.5
Loa Loa (eye worm)	acetyltransferase	0.0053	0.0435	0.0384
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0056	0.0476	0.0389
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Echinococcus granulosus	Tubulin beta 2C chain	0.0041	0.0304	0.0304
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.255	0.255
Echinococcus granulosus	Tubulin beta 2C chain	0.0041	0.0304	0.0304
Trichomonas vaginalis	tubulin beta chain, putative	0.0033	0.0207	0.0207
Plasmodium vivax	tubulin epsilon chain, putative	0.0023	0.009	0.1898
Leishmania major	alpha tubulin	0.0033	0.0207	0.0118
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0292	0.3233	0.3233
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0292	0.3233	0.3233
Echinococcus granulosus	beta tubulin	0.0041	0.0304	0.0304
Entamoeba histolytica	hypothetical protein	0.0164	0.1744	0.1669
Trichomonas vaginalis	tubulin, putative	0.0041	0.0304	0.0304
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0056	0.0476	0.0389
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0514	0.5842	0.5842
Loa Loa (eye worm)	phosphatidylinositol 3	0.0056	0.0476	0.0425
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0056	0.0476	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1087	0.104
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0469	0.5316	0.5316
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0056	0.0476	0.0389
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0056	0.0476	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1307	0.1261
Echinococcus granulosus	tubulin epsilon chain	0.0023	0.009	0.009
Trichomonas vaginalis	conserved hypothetical protein	0.0127	0.1307	0.1307
Loa Loa (eye worm)	tubulin alpha 2	0.0023	0.0089	0.0036
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0519	0.5902	0.5902
Trichomonas vaginalis	tubulin beta chain, putative	0.0033	0.0207	0.0207
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0056	0.0476	0.0476
Echinococcus granulosus	Tubulin alpha 1 chain	0.0033	0.0207	0.0207
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0033	0.0207	0.0118
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0056	0.0476	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.0041	0.0304	0.0304
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Plasmodium vivax	hypothetical protein	0.0056	0.0476	1
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0056	0.0476	0.0476
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0041	0.0304	0.0304
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0056	0.0476	0.0476
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0056	0.0476	0.0476
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0469	0.5308	0.5308
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0164	0.1744	0.1669
Echinococcus multilocularis	tubulin alpha 1C chain	0.0033	0.0207	0.0118
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0646	0.7391	0.7391
Loa Loa (eye worm)	beta-tubulin	0.0041	0.0304	0.0252
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0056	0.0476	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0869	1	1
Schistosoma mansoni	alpha tubulin	0.0033	0.0207	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0177	0.1893	0.185
Loa Loa (eye worm)	tubulin alpha chain	0.0033	0.0207	0.0155
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0469	0.5316	0.5316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0646	0.7391	0.7391
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0108	0.1087	0.1006
Schistosoma mansoni	tubulin subunit alpha	0.0033	0.0207	0.0118
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0691	0.7917	0.7917
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0164	0.1744	0.1744
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0056	0.0476	0.0389
Trypanosoma cruzi	alpha tubulin, putative	0.0033	0.0207	0.0118
Leishmania major	hypothetical protein, unknown function	0.0056	0.0476	0.0389
Echinococcus granulosus	tubulin alpha chain	0.0033	0.0207	0.0207
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0292	0.3233	0.3171
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0056	0.0476	0.0476
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0869	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0056	0.0476	0.0476
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0056	0.0476	0.0389
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Leishmania major	alpha tubulin	0.0033	0.0207	0.0118
Echinococcus multilocularis		0.0056	0.0476	0.0389
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0056	0.0476	0.0476
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0742	0.8511	0.8511
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0056	0.0476	0.0476
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0056	0.0476	0.0389
Schistosoma mansoni	tubulin subunit alpha	0.0033	0.0207	0.0118
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0056	0.0476	0.0389
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0023	0.0089	0.0036
Plasmodium vivax	tubulin alpha chain, putative	0.0033	0.0207	0.435
Giardia lamblia	Beta tubulin	0.0041	0.0304	0.0215
Trypanosoma brucei	beta tubulin	0.0041	0.0304	0.0215
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0164	0.1744	0.1669
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0033	0.0207	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0476	0.0425
Leishmania major	alpha tubulin	0.0033	0.0207	0.0118
Leishmania major	alpha tubulin	0.0033	0.0207	0.0118
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0514	0.5842	0.5842
Schistosoma mansoni	microtubule-associated protein tau	0.0251	0.2756	0.269
Brugia malayi	alpha-tubulin	0.0033	0.0207	0.0118
Giardia lamblia	Beta tubulin	0.0041	0.0304	0.0215
Toxoplasma gondii	beta-1 tubulin, putative	0.0041	0.0304	0.0411
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Giardia lamblia	Alpha-tubulin	0.0033	0.0207	0.0118
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0127	0.1307	0.1228
Loa Loa (eye worm)	BEN-1 protein	0.0041	0.0304	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0183	0.1964	0.1921
Entamoeba histolytica	hypothetical protein	0.0056	0.0476	0.0389
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0056	0.0476	0.0476
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0056	0.0476	0.0389
Toxoplasma gondii	beta-tubulin, putative	0.0041	0.0304	0.0411
Trichomonas vaginalis	tubulin beta chain, putative	0.0033	0.0207	0.0207
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.1087	0.1087
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0056	0.0476	0.0476
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0292	0.3233	0.3171
Plasmodium falciparum	alpha tubulin 1	0.0033	0.0207	0.3025
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0869	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0033	0.0207	0.0118
Echinococcus multilocularis	hypothetical protein	0.0033	0.0207	0.0118
Toxoplasma gondii	alpha-tubulin I, putative	0.0033	0.0207	0.028
Trichomonas vaginalis	tubulin beta chain, putative	0.0033	0.0207	0.0207
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0056	0.0476	0.0389
Echinococcus granulosus	tubulin alpha chain	0.0033	0.0207	0.0207
Loa Loa (eye worm)	tubulin beta-1 chain	0.0041	0.0304	0.0252
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0361	0.4047	0.3993
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0056	0.0476	0.0389
Entamoeba histolytica	tubulin family protein	0.0041	0.0304	0.0215
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0292	0.3233	0.3171
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0056	0.0476	0.0389
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0023	0.0089	0.0089
Loa Loa (eye worm)	phosphatidylinositol 3	0.0056	0.0476	0.0425
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0056	0.0476	0.0389
Echinococcus granulosus	tubulin beta 1 chain	0.0041	0.0304	0.0304
Trichomonas vaginalis	tubulin gamma chain, putative	0.0041	0.0304	0.0304
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0869	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0056	0.0476	0.0389
Leishmania major	alpha tubulin	0.0033	0.0207	0.0118
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0292	0.3233	0.3171
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0164	0.1744	0.1744
Plasmodium vivax	hypothetical protein, conserved	0.0056	0.0476	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0056	0.0476	0.0389
Plasmodium vivax	tubulin beta chain, putative	0.0041	0.0304	0.6385
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0056	0.0476	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0869	1	1
Echinococcus granulosus	tubulin alpha chain	0.0033	0.0207	0.0207
Leishmania major	alpha tubulin	0.0033	0.0207	0.0118
Trichomonas vaginalis	conserved hypothetical protein	0.0108	0.1087	0.1087
Trichomonas vaginalis	tubulin alpha chain, putative	0.0041	0.0304	0.0304
Echinococcus multilocularis	tubulin alpha chain	0.0033	0.0207	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0089	0.0036
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0056	0.0476	0.0389
Brugia malayi	Tubulin alpha-2 chain	0.0033	0.0207	0.0118
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0056	0.0476	0.0389
Giardia lamblia	Hypothetical protein	0.0056	0.0476	0.0389
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0056	0.0476	0.0389
Echinococcus granulosus	beta tubulin	0.0041	0.0304	0.0304
Schistosoma mansoni	alpha tubulin	0.0033	0.0207	0.0118
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0051	0.0418	0.0418
Plasmodium vivax	tubulin alpha chain, putative	0.0033	0.0207	0.435
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0646	0.7391	1
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0056	0.0476	1
Loa Loa (eye worm)	alpha-tubulin	0.0033	0.0207	0.0155
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0056	0.0476	0.0389
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0692	0.7925	0.7906
Echinococcus granulosus	Tubulin beta 2C chain	0.0041	0.0304	0.0304
Echinococcus multilocularis	beta tubulin	0.0041	0.0304	0.0215
Echinococcus granulosus	tubulin alpha chain	0.0033	0.0207	0.0207
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0164	0.1744	0.1669
Echinococcus multilocularis	tubulin alpha 3 chain	0.0033	0.0207	0.0118
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0041	0.0304	0.0304
Echinococcus granulosus	tubulin alpha 1C chain	0.0033	0.0207	0.0207
Trichomonas vaginalis	tubulin beta chain, putative	0.0033	0.0207	0.0207
Loa Loa (eye worm)	phosphatidylinositol 3	0.0869	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0023	0.009	0.0122
Echinococcus multilocularis	tubulin alpha chain	0.0033	0.0207	0.0118
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0056	0.0476	0.0476
Entamoeba histolytica	hypothetical protein	0.0056	0.0476	0.0389
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0056	0.0476	0.5
Echinococcus granulosus	Tubulin alpha 1 chain	0.0033	0.0207	0.0207
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0056	0.0476	0.0389
Entamoeba histolytica	tubulin family protein	0.0041	0.0304	0.0215
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0869	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0041	0.0304	0.0215
Echinococcus granulosus	peroxisome assembly protein 26	0.0033	0.0207	0.0207
Echinococcus granulosus	tubulin alpha 3 chain	0.0033	0.0207	0.0207
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0056	0.0476	0.0389
Schistosoma mansoni	hypothetical protein	0.0127	0.1307	0.1228
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0164	0.1744	0.1669
Echinococcus multilocularis	tubulin alpha 3 chain	0.0033	0.0207	0.0118
Trichomonas vaginalis	tubulin beta chain, putative	0.0041	0.0304	0.0304
Brugia malayi	Tubulin beta-1 chain	0.0041	0.0304	0.0215
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0692	0.7925	0.7906
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0469	0.5308	0.5308
Brugia malayi	tubulin alpha-2 chain	0.0033	0.0207	0.0118
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0056	0.0476	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0519	0.5902	0.5902
Giardia lamblia	Alpha-tubulin	0.0033	0.0207	0.0118
Loa Loa (eye worm)	alpha-tubulin	0.0033	0.0207	0.0155
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0164	0.1744	0.1744
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0292	0.3233	0.3233
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0056	0.0476	0.0425
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0869	1	1
Schistosoma mansoni	hypothetical protein	0.0056	0.0476	0.0389
Onchocerca volvulus		0.0056	0.0476	0.5
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0033	0.0207	0.0118
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0056	0.0476	0.0389
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0691	0.7917	0.7917
Loa Loa (eye worm)	phosphatidylinositol 3	0.0292	0.3233	0.3197
Loa Loa (eye worm)	phosphatidylinositol 3	0.0056	0.0476	0.0425
Schistosoma mansoni	tubulin subunit beta	0.0041	0.0304	0.0215
Loa Loa (eye worm)	tubulin beta-4 chain	0.0041	0.0304	0.0252
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0056	0.0476	0.0389
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0292	0.3233	0.3171
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0292	0.3233	0.3233
Trypanosoma brucei	beta tubulin	0.0041	0.0304	0.0215
Brugia malayi	tubulin alpha chain - mouse	0.0033	0.0207	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0207	0.0155
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0056	0.0476	0.0476
Plasmodium falciparum	tubulin beta chain	0.0041	0.0304	0.5538
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0869	1	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0056	0.0476	0.0643
Echinococcus multilocularis	tubulin alpha chain	0.0033	0.0207	0.0118
Echinococcus multilocularis	tubulin beta 1 chain	0.0041	0.0304	0.0215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0519	0.5902	0.5902
Echinococcus granulosus	Tubulin alpha 1 chain	0.0033	0.0207	0.0207
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0292	0.3233	0.3233
Brugia malayi	acetyltransferase, GNAT family protein	0.0053	0.0435	0.0348
Leishmania major	alpha tubulin	0.0033	0.0207	0.0118
Loa Loa (eye worm)	phosphatidylinositol 3	0.0056	0.0476	0.0425
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0869	1	1
Entamoeba histolytica	hypothetical protein	0.0056	0.0476	0.0389
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0053	0.0435	0.0348
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0056	0.0476	1
Giardia lamblia	Beta tubulin	0.0041	0.0304	0.0215
Trypanosoma brucei	alpha tubulin	0.0033	0.0207	0.0118
Echinococcus multilocularis	Tubulin beta 2C chain	0.0041	0.0304	0.0215
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0056	0.0476	0.0476
Brugia malayi	Tubulin alpha chain	0.0033	0.0207	0.0118
Trypanosoma cruzi	target of rapamycin kinase 3	0.0692	0.7925	0.7906
Brugia malayi	Tubulin alpha-2 chain	0.0033	0.0207	0.0118
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0056	0.0476	0.0389
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0164	0.1744	0.1669
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0691	0.7917	0.7917
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0056	0.0476	0.0425
Echinococcus granulosus	serine protein kinase ATM	0.0164	0.1744	0.1744
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0056	0.0476	0.0389
Echinococcus granulosus	tubulin subunit beta	0.0041	0.0304	0.0304
Echinococcus multilocularis	tubulin subunit beta	0.0041	0.0304	0.0215
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0056	0.0476	0.0476
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0056	0.0476	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0476	0.0425
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0164	0.1744	0.1669
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0056	0.0476	0.0389
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0056	0.0476	0.0476
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0869	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0056	0.0476	0.0476
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0056	0.0476	0.0389
Echinococcus granulosus	tubulin alpha 1C chain	0.0033	0.0207	0.0207
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0164	0.1744	0.1669
Trypanosoma brucei	beta tubulin	0.0041	0.0304	0.0215
Leishmania major	phosphatidylinositol kinase, putative	0.0056	0.0476	0.0389
Echinococcus granulosus	Tubulin beta 2C chain	0.0041	0.0304	0.0304
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0292	0.3233	0.3171
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0469	0.5308	0.5308
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0056	0.0476	0.0476
Leishmania major	alpha tubulin	0.0033	0.0207	0.0118
Echinococcus multilocularis	Tubulin beta 2C chain	0.0041	0.0304	0.0215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0691	0.7917	0.7917
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0056	0.0476	0.0476
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0411	0.4634	0.4585
Schistosoma mansoni	tubulin subunit beta	0.0041	0.0304	0.0215
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0056	0.0476	0.0389
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Loa Loa (eye worm)	tubulin beta chain	0.0041	0.0304	0.0252
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0292	0.3233	0.3171
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0056	0.0476	0.0389
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0869	1	1
Schistosoma mansoni	tubulin subunit beta	0.0041	0.0304	0.0215
Schistosoma mansoni	tubulin subunit beta	0.0041	0.0304	0.0215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0869	1	1
Echinococcus granulosus	tubulin alpha chain	0.0033	0.0207	0.0207
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0033	0.0207	0.0207
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0056	0.0476	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0023	0.009	0.009
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0056	0.0476	0.0389
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0056	0.0476	0.0389
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0056	0.0476	0.0389
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0056	0.0476	0.0389
Plasmodium falciparum	alpha tubulin 2	0.0033	0.0207	0.3025
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0564	0.6428	0.6428
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0041	0.0304	0.0215
Toxoplasma gondii	alpha tubulin TUBA1	0.0033	0.0207	0.028
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0292	0.3233	0.3171
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0056	0.0476	0.0389
Trypanosoma cruzi	beta tubulin, putative	0.0041	0.0304	0.0215
Brugia malayi	beta-tubulin, identical	0.0041	0.0304	0.0215
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Toxoplasma gondii	beta tubulin	0.0041	0.0304	0.0411
Entamoeba histolytica	tubulin alpha-1 chain	0.0033	0.0207	0.0118
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0056	0.0476	0.0389
Leishmania major	alpha tubulin	0.0033	0.0207	0.0118
Plasmodium vivax	tubulin gamma chain, putative	0.0023	0.009	0.1898
Loa Loa (eye worm)	tubulin beta-2A chain	0.0041	0.0304	0.0252
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0033	0.0207	0.0207
Trichomonas vaginalis	conserved hypothetical protein	0.0183	0.1964	0.1964
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0127	0.1307	0.1307
Loa Loa (eye worm)	tubulin alpha chain	0.0033	0.0207	0.0155
Echinococcus multilocularis	peroxisome assembly protein 26	0.0033	0.0207	0.0118
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0056	0.0476	0.0476
Echinococcus granulosus	Tubulin beta 2C chain	0.0041	0.0304	0.0304
Echinococcus granulosus	tubulin subunit TubB	0.0033	0.0207	0.0207
Echinococcus multilocularis	serine protein kinase ATM	0.0164	0.1744	0.1669
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0292	0.3233	0.3171
Trypanosoma brucei	alpha tubulin	0.0033	0.0207	0.0118
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0056	0.0476	0.0389
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0469	0.5316	0.5316
Trypanosoma brucei	alpha tubulin	0.0033	0.0207	0.0118
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Echinococcus multilocularis	tubulin alpha chain	0.0033	0.0207	0.0118
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0469	0.5316	0.5316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0691	0.7917	0.7917
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0056	0.0476	0.0643
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0056	0.0476	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0164	0.1744	0.17
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0056	0.0476	0.0389
Trichomonas vaginalis	tubulin gamma chain, putative	0.0023	0.009	0.009
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Onchocerca volvulus		0.0056	0.0476	0.5
Echinococcus multilocularis	beta tubulin	0.0041	0.0304	0.0215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0646	0.7391	0.7391
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0164	0.1744	0.1744
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0056	0.0476	0.0476
Entamoeba histolytica	hypothetical protein	0.0056	0.0476	0.0389
Entamoeba histolytica	tubulin alpha chain, putative	0.0033	0.0207	0.0118
Echinococcus granulosus	alpha tubulin	0.0033	0.0207	0.0207
Trichomonas vaginalis	tubulin alpha chain, putative	0.0023	0.009	0.009
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0056	0.0476	0.0389
Echinococcus granulosus	tubulin alpha	0.0023	0.009	0.009
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0164	0.1744	0.1669
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0053	0.0435	0.0348
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0033	0.0207	0.0207
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0583	0.6648	0.6648
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0056	0.0476	0.0643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0646	0.7391	0.7391
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0056	0.0476	0.0389
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0164	0.1744	0.1669
Echinococcus multilocularis	microtubule associated protein 2	0.0251	0.2756	0.269
Trypanosoma brucei	alpha tubulin	0.0033	0.0207	0.0118
Trypanosoma brucei	beta tubulin	0.0041	0.0304	0.0215
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0183	0.1964	0.2658
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0056	0.0476	0.0389
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0056	0.0476	0.0389
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0056	0.0476	0.0389
Leishmania major	alpha tubulin	0.0033	0.0207	0.0118
Loa Loa (eye worm)	BEN-1 protein	0.0041	0.0304	0.0252
Echinococcus granulosus	tubulin alpha 3 chain	0.0033	0.0207	0.0207
Leishmania major	alpha tubulin	0.0033	0.0207	0.0118
Giardia lamblia	GTOR	0.0869	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0041	0.0304	0.0215
Echinococcus multilocularis	tubulin alpha chain	0.0033	0.0207	0.0118
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0056	0.0476	0.0389
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0056	0.0476	0.0389
Schistosoma mansoni	tubulin subunit beta	0.0041	0.0304	0.0215
Leishmania major	hypothetical protein, conserved	0.0056	0.0476	0.0389
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0056	0.0476	0.0389
Leishmania major	beta tubulin	0.0041	0.0304	0.0215
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.002	0.0053	0.0053
Echinococcus granulosus	microtubule associated protein 2	0.0251	0.2756	0.2756
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0869	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0033	0.0207	0.0207
Schistosoma mansoni	tubulin subunit beta	0.0041	0.0304	0.0215
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0056	0.0476	0.0389
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0646	0.7391	0.7391
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0646	0.7391	0.7391
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0056	0.0476	0.0389
Loa Loa (eye worm)	tubulin gamma chain	0.0023	0.009	0.0037
Echinococcus multilocularis	Zinc finger, PHD finger	0.0056	0.0476	0.0389
Schistosoma mansoni	alpha tubulin	0.0033	0.0207	0.0118
Loa Loa (eye worm)	phosphatidylinositol 3	0.0056	0.0476	0.0425
Echinococcus multilocularis	tubulin alpha 1C chain	0.0033	0.0207	0.0118
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0056	0.0476	0.0389
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0646	0.7391	0.7391
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0056	0.0476	0.0476

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 5.13 uM	Cytotoxic concentration required to inhibit 50% cell growth in MLM melanoma cell lines	ChEMBL.	1875350
ED50 (functional)	= 6.47 uM	Cytotoxic concentration required to inhibit 50% cell growth in A-549 lung carcinoma cell lines	ChEMBL.	1875350
ED50 (functional)	= 6.47 uM	Cytotoxic concentration required to inhibit 50% cell growth in A-549 lung carcinoma cell lines	ChEMBL.	1875350
ED50 (functional)	= 6.53 uM	Cytotoxic concentration required to inhibit 50% cell growth in SKMEL-5 melanoma cell lines	ChEMBL.	1875350
ED50 (functional)	= 6.53 uM	Cytotoxic concentration required to inhibit 50% cell growth in SKMEL-5 melanoma cell lines	ChEMBL.	1875350
ED50 (functional)	= 9.14 uM	Cytotoxic concentration required to inhibit 50% cell growth in MCF-7 breast carcinoma cell lines	ChEMBL.	1875350
ED50 (functional)	= 9.14 uM	Cytotoxic concentration required to inhibit 50% cell growth in MCF-7 breast carcinoma cell lines	ChEMBL.	1875350
ED50 (functional)	= 12.69 uM	Cytotoxic concentration required to inhibit 50% cell growth in HT-29 colon adenocarcinoma cell lines	ChEMBL.	1875350
ED50 (functional)	= 12.69 uM	Cytotoxic concentration required to inhibit 50% cell growth in HT-29 colon adenocarcinoma cell lines	ChEMBL.	1875350
GI50 (functional)	-5.427	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.229	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.216	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.01	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.944	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.916	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.788	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.728	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.723	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

PubChem: 5388062

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 145064