TDR Targets

Basic information

Technical information

TDR Targets ID: 314293
Name: 1-[(E)-2-(4-fluorophenyl)ethenyl]-3,5-dimetho xybenzene
MW: 258.288 | Formula: C16H15FO2
H donors: 0 H acceptors: 0 LogP: 4.23 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(/C=C/c2ccc(cc2)F)cc(c1)OC
InChi: 1S/C16H15FO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11H,1-2H3/b4-3+
InChiKey: BXIQOACOSDGVBH-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

1-[(E)-2-(4-fluorophenyl)vinyl]-3,5-dimethoxy-benzene
1-[(E)-2-(4-fluorophenyl)vinyl]-3,5-dimethoxybenzene
1-[(E)-2-(4-fluorophenyl)ethenyl]-3,5-dimethoxy-benzene

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	NAD(P)H dehydrogenase, quinone 2	Starlite/ChEMBL	References
Oryctolagus cuniculus	Aryl hydrocarbon receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	Get druggable targets OG5_130380	All targets in OG5_130380
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133500	All targets in OG5_133500
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Schistosoma japonicum	IPR001189,Manganese and iron superoxide dismutase,domain-containing	Get druggable targets OG5_133500	All targets in OG5_133500
Echinococcus granulosus	aryl hydrocarbon receptor	Get druggable targets OG5_133500	All targets in OG5_133500
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Schistosoma japonicum	ko:K09093 aryl hydrocarbon receptor, putative	Get druggable targets OG5_133500	All targets in OG5_133500
Brugia malayi	aryl hydrocarbon receptor AHR-1	Get druggable targets OG5_133500	All targets in OG5_133500
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	Get druggable targets OG5_130380	All targets in OG5_130380
Schistosoma mansoni	aryl hydrocarbon receptor	Get druggable targets OG5_133500	All targets in OG5_133500
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Echinococcus multilocularis	aryl hydrocarbon receptor	Get druggable targets OG5_133500	All targets in OG5_133500
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Onchocerca volvulus		Get druggable targets OG5_133500	All targets in OG5_133500
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133500	All targets in OG5_133500
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Giardia lamblia	NADPH oxidoreductase, putative	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Giardia lamblia	NADPH oxidoreductase, putative	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Giardia lamblia	NADPH oxidoreductase, putative	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	Get druggable targets OG5_130380	All targets in OG5_130380
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133500	All targets in OG5_133500
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	NAD(P)H dehydrogenase, quinone 2	231 aa	213 aa	26.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0012	0.0238	0.0232
Onchocerca volvulus		0.004	0.1592	0.1737
Mycobacterium leprae	Possible regulatory protein	0.0019	0.0572	1
Loa Loa (eye worm)	hypothetical protein	0.0158	0.7326	1
Echinococcus granulosus	GPCR family 2	0.0016	0.0443	0.053
Brugia malayi	bHLH-PAS transcription factor	0.0054	0.2287	0.3334
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0012	0.0238	0.0289
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Trypanosoma brucei	P-type H+-ATPase, putative	0.001	0.0116	0.0208
Onchocerca volvulus		0.0158	0.7326	1
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0015	0.0386	0.0642
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.002	0.0594	0.1061
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.4322	1
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.4322	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.1592	0.2173
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0012	0.0227	0.0235
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 2	0.0015	0.0386	0.069
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0813	0.1656
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0443	0.0604
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0019	0.0572	0.1083
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.0015	0.0386	0.0453
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.002	0.0594	0.1061
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0443	0.053
Brugia malayi	MH2 domain containing protein	0.0008	0.0056	0.0082
Plasmodium vivax	calcium-transporting ATPase, putative	0.0015	0.0386	0.5
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0015	0.0386	0.0642
Toxoplasma gondii	P-type ATPase4, putative	0.0015	0.0386	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0443	0.053
Trypanosoma cruzi	P-type H+-ATPase, putative	0.001	0.0116	0.0208
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0096	0.4322	1
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.001	0.0148	0.0202
Mycobacterium tuberculosis	Possible metal cation transporting P-type ATPase CtpH	0.001	0.0148	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.4322	1
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0024	0.0813	0.1656
Schistosoma mansoni	Smad4	0.0008	0.0056	0.005
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0227	0.031
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0443	0.053
Loa Loa (eye worm)	hypothetical protein	0.0014	0.034	0.0464
Leishmania major	calcium-transporting ATPase, putative	0.0012	0.0238	0.0222
Onchocerca volvulus		0.0134	0.617	0.8334
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0009	0.0084	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0084	0.0115
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0023	0.0761	0.0966
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0015	0.0386	0.069
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0023	0.0761	0.0966
Onchocerca volvulus		0.0023	0.0761	0.054
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0572	0.1083
Trichomonas vaginalis	guanylate cyclase, putative	0.0019	0.0572	0.1083
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0023	0.0761	0.0755
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0813	0.1656
Echinococcus granulosus	Immunoglobulin	0.0009	0.0084	0.0038
Schistosoma mansoni	nephrin	0.0011	0.0196	0.019
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.4322	1
Brugia malayi	Smad1	0.0008	0.0056	0.0082
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.0015	0.0386	0.0453
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.0009	0.0062	0.0091
Entamoeba histolytica	iron-sulfur flavoprotein, putative	0.0024	0.0813	1
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0159	0.7357	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.137	0.187
Schistosoma mansoni	calcium-transporting atpase 2 (atpase 2)	0.0012	0.0238	0.0232
Brugia malayi	hypothetical protein	0.0019	0.0572	0.0834
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Brugia malayi	MH2 domain containing protein	0.0008	0.0056	0.0082
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.3153	0.7221
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.0015	0.0386	0.0453
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0056	0.005
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0023	0.0761	0.0966
Echinococcus granulosus	nervana 2	0.0023	0.0761	0.0966
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.4322	1
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0019	0.0572	0.0831
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0443	0.0646
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0015	0.0386	0.0642
Brugia malayi	Membrane calcium atpase protein 3	0.0012	0.0238	0.0347
Trichomonas vaginalis	guanylate cyclase, putative	0.0019	0.0572	0.1083
Echinococcus multilocularis	roundabout 2	0.0014	0.034	0.0389
Echinococcus multilocularis	apoptotic protease activating factor 1	0.004	0.1592	0.2104
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0023	0.0761	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0052	0.2169	0.2961
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0015	0.0386	0.0493
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0122	0.5599	1
Echinococcus granulosus	caspase 2	0.004	0.1592	0.2104
Echinococcus granulosus	sodium:potassium transporting ATPase subunit	0.0023	0.0761	0.0966
Onchocerca volvulus		0.0023	0.0761	0.054
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0056	0.0076
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0122	0.5599	1
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0572	0.1083
Schistosoma mansoni	vesicular amine transporter	0.0009	0.0084	0.0078
Brugia malayi	E1-E2 ATPase family protein	0.001	0.0116	0.017
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.002	0.0603	0.0823
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.0015	0.0386	0.0527
Toxoplasma gondii	calcium-translocating P-type ATPase, PMCA-type protein	0.0015	0.0386	1
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0015	0.0386	0.0493
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0813	0.1656
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.4322	1
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0012	0.0238	0.0232
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0009	0.0084	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0386	0.0527
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0084	0.0115
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0019	0.0572	0.5
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0015	0.0386	0.0642
Echinococcus multilocularis	nervana 2	0.0023	0.0761	0.0966
Schistosoma mansoni	ATPase	0.0015	0.0386	0.038
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	0.0015	0.0386	0.1113
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.002	0.0594	0.1061
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Mycobacterium ulcerans	putative regulatory protein	0.0054	0.2287	1
Echinococcus multilocularis	Ca2+ transporting ATPase plasma membrane	0.0012	0.0238	0.025
Schistosoma mansoni	hypothetical protein	0.004	0.1592	0.1587
Brugia malayi	MH1 domain containing protein	0.0008	0.0056	0.0082
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0096	0.4322	1
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0813	0.1656
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0019	0.0572	0.1083
Leishmania major	protein kinase, putative	0.002	0.0594	0.0871
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0019	0.0572	0.1022
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.0012	0.0238	0.0232
Toxoplasma gondii	plasma membrane-type Ca(2+)-ATPase A1 PMCAA1	0.0012	0.0238	0.4509
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0813	0.1656
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.0012	0.0238	0.0232
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0056	0.0076
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0009	0.0084	0.0038
Schistosoma mansoni	hypothetical protein	0.0016	0.0443	0.0437
Plasmodium vivax	P-type ATPase4, putative	0.0015	0.0386	0.5
Entamoeba histolytica	modulator of drug activity B homolog, putative	0.0024	0.0813	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Trichomonas vaginalis	adenylate cyclase, type VII, putative	0.0019	0.0572	0.1083
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Echinococcus granulosus	nervana 2	0.0023	0.0761	0.0966
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.2169	0.3162
Onchocerca volvulus		0.0055	0.2318	0.2783
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0761	0.1039
Loa Loa (eye worm)	calcium ATPase	0.0009	0.0062	0.0085
Brugia malayi	hypothetical protein	0.0009	0.0084	0.0122
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0122	0.5599	1
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.4322	1
Trypanosoma cruzi	P-type H+-ATPase, putative	0.001	0.0116	0.0208
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0012	0.0238	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0014	0.034	0.0464
Echinococcus granulosus	plasma membrane calcium transporting ATPase	0.0012	0.0238	0.025
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.4322	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0443	0.053
Echinococcus granulosus	neuroglian	0.0011	0.0196	0.0192
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Echinococcus multilocularis	nervana 2	0.0023	0.0761	0.0966
Echinococcus multilocularis	nervana 2	0.0023	0.0761	0.0966
Brugia malayi	MH2 domain containing protein	0.0124	0.5691	0.8296
Trypanosoma cruzi	Calcium ATPase SERCA-like	0.0015	0.0386	0.069
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0572	0.1083
Loa Loa (eye worm)	hypothetical protein	0.0139	0.6398	0.8733
Echinococcus multilocularis	neuroglian	0.0011	0.0196	0.0192
Onchocerca volvulus	Cell death protein 3 homolog	0.004	0.1592	0.1737
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0024	0.0813	0.1656
Echinococcus granulosus	aryl hydrocarbon receptor	0.0159	0.7357	1
Trichomonas vaginalis	FMN-dependent NADH-azoreductase, putative	0.0024	0.0813	0.1656
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Echinococcus multilocularis	nervana 2	0.0023	0.0761	0.0966
Loa Loa (eye worm)	Smad1	0.0008	0.0056	0.0076
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0443	0.0604
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0019	0.0572	0.1083
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0009	0.0084	0.0078
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0148	0.686	1
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.4322	1
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0019	0.0572	0.1083
Plasmodium falciparum	non-SERCA-type Ca2+ -transporting P-ATPase	0.0015	0.0386	1
Echinococcus multilocularis	Immunoglobulin	0.0009	0.0084	0.0038
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.0015	0.0386	0.0453
Brugia malayi	Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.0012	0.0238	0.0347
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0096	0.4322	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0124	0.5691	0.7768
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.2169	0.2961
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Echinococcus multilocularis	calcium transporting atpase	0.0012	0.0238	0.025
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0122	0.5599	0.7591
Schistosoma mansoni	hypothetical protein	0.0016	0.0443	0.0437
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0813	0.1656
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0012	0.0238	0.0425
Giardia lamblia	NADPH oxidoreductase, putative	0.0096	0.4322	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0056	0.005
Trypanosoma brucei	calcium motive p-type ATPase, putative	0.0012	0.0238	0.0425
Brugia malayi	aryl hydrocarbon receptor AHR-1	0.0139	0.6398	0.9327
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.4322	1
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.0015	0.0386	0.4319
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Schistosoma mansoni	hypothetical protein	0.0016	0.0443	0.0437
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0122	0.5599	0.7591
Loa Loa (eye worm)	hypothetical protein	0.004	0.1592	0.2173
Echinococcus granulosus	single minded 2	0.0054	0.2287	0.3056
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0122	0.5599	0.7591
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0084	0.0115
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0019	0.0572	0.1022
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0015	0.0386	0.0642
Leishmania major	P-type ATPase, putative	0.0012	0.0238	0.0222
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Brugia malayi	MH1 domain containing protein	0.0008	0.0056	0.0082
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Leishmania major	calcium motive p-type ATPase, putative	0.0012	0.0238	0.0222
Giardia lamblia	NADPH oxidoreductase, putative	0.0096	0.4322	1
Schistosoma mansoni	single-minded	0.0073	0.3215	0.3211
Leishmania major	calcium-translocating P-type ATPase	0.0015	0.0386	0.0493
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0056	0.005
Echinococcus multilocularis	sodium:potassium transporting ATPase subunit	0.0023	0.0761	0.0966
Trypanosoma brucei	P-type H+-ATPase, putative	0.001	0.0116	0.0208
Brugia malayi	Fibronectin type III domain containing protein	0.0009	0.0084	0.0122
Giardia lamblia	NADPH oxidoreductase, putative	0.0096	0.4322	1
Brugia malayi	hypothetical protein	0.004	0.1592	0.2321
Brugia malayi	PAS domain containing protein	0.0073	0.3215	0.4686
Trichomonas vaginalis	adenylate cyclase, putative	0.0019	0.0572	0.1083
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0015	0.0386	0.0642
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0023	0.0761	0.0755
Echinococcus multilocularis	transfer RNA-Lys	0.0054	0.2287	0.3056
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.0015	0.0386	0.038
Schistosoma mansoni	hypothetical protein	0.0035	0.137	0.1365
Schistosoma mansoni	na+/k+ atpase alpha subunit	0.0012	0.0238	0.0232
Loa Loa (eye worm)	E1-E2 ATPase	0.001	0.0116	0.0159
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0015	0.0386	0.4319
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.002	0.0594	0.1061
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0015	0.0386	0.0642
Loa Loa (eye worm)	hypothetical protein	0.014	0.6429	0.8775
Echinococcus multilocularis	plasma membrane calcium transporting ATPase	0.0012	0.0238	0.025
Trypanosoma brucei	calcium-translocating P-type ATPase	0.0012	0.0238	0.0425
Schistosoma mansoni	cell adhesion molecule	0.0012	0.0227	0.0221
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0122	0.5599	1
Entamoeba histolytica	hypothetical protein	0.0024	0.0813	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0084	0.0115
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0015	0.0386	0.4319
Schistosoma mansoni	hypothetical protein	0.0016	0.0443	0.0437
Echinococcus granulosus	apoptotic protease activating factor 1	0.004	0.1592	0.2104
Echinococcus granulosus	twitchin	0.0012	0.0218	0.0222
Echinococcus granulosus	Na:K ATPase alpha subunit	0.0012	0.0238	0.025
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0386	0.0527
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.4322	1
Echinococcus granulosus	Ca2 transporting ATPase plasma membrane	0.0012	0.0238	0.025
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0443	0.053
Echinococcus multilocularis	caspase 2	0.004	0.1592	0.2104
Trypanosoma brucei	vacuolar-type Ca2+-ATPase, putative	0.0015	0.0386	0.069
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.0015	0.0386	0.0453
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0122	0.5599	0.7642
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.2169	0.3162
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0148	0.686	0.9364
Brugia malayi	Na,K-ATPase alpha subunit	0.0015	0.0386	0.0563
Echinococcus multilocularis	Immunoglobulin	0.0009	0.0084	0.0038
Echinococcus multilocularis	Na+:K+ ATPase alpha subunit	0.0012	0.0238	0.025
Onchocerca volvulus	Tyrosine kinase homolog	0.0139	0.6389	0.865
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0813	0.1656
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0084	0.0115
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Leishmania major	protein kinase, putative	0.002	0.0594	0.0871
Brugia malayi	Cell death protein 3 precursor	0.004	0.1592	0.2321
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.4322	1
Echinococcus granulosus	nervana 2	0.0023	0.0761	0.0966
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 1	0.0015	0.0386	0.069
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0084	0.0115
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0122	0.5599	0.7591
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0023	0.0761	0.0966
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0023	0.0761	0.0966
Echinococcus granulosus	roundabout 2	0.0014	0.034	0.0389
Schistosoma mansoni	sodium / potassium ATPase beta chain	0.0023	0.0761	0.0755
Trichomonas vaginalis	cation-transporting ATPase fungi, putative	0.0015	0.0386	0.0642
Schistosoma mansoni	smad	0.0008	0.0056	0.005
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0015	0.0386	0.069
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Mycobacterium ulcerans	metal cation-transporting p-type ATPase F, CtpF	0.0015	0.0386	0.1113
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0443	0.0646
Toxoplasma gondii	sarco/endoplasmic reticulum Ca2+-ATPase	0.0015	0.0386	1
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0015	0.0386	0.4319
Schistosoma mansoni	transmemberane protein	0.0023	0.0761	0.0755
Loa Loa (eye worm)	MH2 domain-containing protein	0.0124	0.5691	0.7768
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0813	0.1656
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0761	0.1039
Echinococcus granulosus	nervana 2	0.0023	0.0761	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0572	0.0781
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0056	0.005
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0813	0.1656
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.0015	0.0386	0.0363
Schistosoma mansoni	ATPase	0.0015	0.0386	0.038
Echinococcus granulosus	mitogen activated protein kinase 14	0.0122	0.5599	0.7591
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0023	0.0761	0.0755
Echinococcus granulosus	mitogen activated protein kinase 11	0.0122	0.5599	0.7591
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0813	0.1656
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.137	0.1997
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.4322	1
Echinococcus granulosus	defective proboscis extension response	0.0009	0.0084	0.0038
Brugia malayi	P38 map kinase family protein 2	0.0122	0.5599	0.8161
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.001	0.0148	0.0216
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.002	0.0603	0.0749
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.002	0.0603	0.0749
Echinococcus granulosus	calcium transporting atpase	0.0012	0.0238	0.025
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.0015	0.0386	0.0453
Schistosoma mansoni	caspase-7 (C14 family)	0.004	0.1592	0.1587
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0015	0.0386	0.0642

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 60 %	Antiproliferative activity against human NCI-H460 cells assessed as cell growth at 100 uM after 48 hrs by alamar blue assay	ChEMBL.	19481462
Activity (functional)	= 67 %	Antiproliferative activity against human MCF7 cells assessed as cell growth at 100 uM after 48 hrs by alamar blue assay	ChEMBL.	19481462
Activity (functional)	= 105 %	Antiproliferative activity against human SF268 cells assessed as cell growth at 100 uM after 48 hrs by alamar blue assay	ChEMBL.	19481462
Concentration (functional)	> 10 uM	Tested for cytotoxicity towards A549 cell line (human lung carcinoma)	ChEMBL.	15634023
Concentration (functional)	> 10 uM	Tested for cytotoxicity towards MCF-7 cell line (human breast cancer)	ChEMBL.	15634023
Concentration (functional)	> 10 uM	Tested for cytotoxicity towards T47D cell line (human breast cancer)	ChEMBL.	15634023
Concentration (functional)	> 10 uM	Tested for cytotoxicity towards A549 cell line (human lung carcinoma)	ChEMBL.	15634023
Concentration (functional)	> 10 uM	Tested for cytotoxicity towards MCF-7 cell line (human breast cancer)	ChEMBL.	15634023
Concentration (functional)	> 10 uM	Tested for cytotoxicity towards T47D cell line (human breast cancer)	ChEMBL.	15634023
IC50 (binding)	= 4.6 uM	Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate	ChEMBL.	23953689
IC50 (functional)	> 10 uM	Cytotoxicity against human HT-29 cells after 3 days by [3H]thymidine incorporation assay	ChEMBL.	20627379
IC50 (functional)	> 10 uM	Cytotoxicity against human Caco-2 cells after 3 days by [3H]thymidine incorporation assay	ChEMBL.	20627379
Inhibition (binding)	= 15.38 %	Inhibition of human aromatase at 20 ug/ml preincubated with NADP+ for 10 mins before substrate addition measured after 30 mins	ChEMBL.	20558073
Ki (binding)	= 0.491	Binding affinity to aryl hydrocarbon receptor (unknown origin)	LITERATURE.	No reference
Ki (binding)	= 3.1 nM	Binding affinity for aryl hydrocarbon receptor (AhR) of rabbit liver cytosol incubated with 0.2 nM [3H]-TCDD; Antagonist	ChEMBL.	15634023
Ki (binding)	= 3.1 nM	Binding affinity for aryl hydrocarbon receptor (AhR) of rabbit liver cytosol incubated with 0.2 nM [3H]-TCDD; Antagonist	ChEMBL.	15634023
Ki (binding)	> 100000 nM	Binding affinity for estrogen receptor (ER) alpha of MCF-7 cell cytosol incubated with 2 nM [3H]-estradiol	ChEMBL.	15634023
Ki (binding)	> 100000 nM	Binding affinity for estrogen receptor (ER) alpha of MCF-7 cell cytosol incubated with 2 nM [3H]-estradiol	ChEMBL.	15634023

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	20627379

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: CHEMBL179374
PubChem: 11414230

Bibliographic References

3 literature references were collected for this gene.

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Detailed information for compound 314293