TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 262.344 | Formula: C16H22O3
H donors: 1 H acceptors: 2 LogP: 2.77 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(c1ccc(cc(=O)c1O)C(C)C)/C=C/C
InChi: 1S/C16H22O3/c1-5-7-15(19-6-2)13-9-8-12(11(3)4)10-14(17)16(13)18/h5,7-11,15H,6H2,1-4H3,(H,17,18)/b7-5+
InChiKey: WFJIMGYTCUPNSF-FNORWQNLSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	G-protein coupled receptor, putative	0.048	0.3646	0.3646
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.0056	0.0257	0.0307
Schistosoma mansoni	metabotropic glutamate receptor	0.0082	0.0462	0.0462
Brugia malayi	ORL1-like opioid receptor	0.048	0.3646	0.6571
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0054	0.0237	0.0237
Brugia malayi	Serotonin receptor	0.048	0.3646	0.6571
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0129	0.0184
Leishmania major	beta tubulin	0.0562	0.43	0.5
Leishmania major	beta tubulin	0.0562	0.43	0.5
Schistosoma mansoni	neuropeptide receptor	0.048	0.3646	0.3646
Leishmania major	beta tubulin	0.0562	0.43	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0129	0.0184
Schistosoma mansoni	opsin-like receptor	0.048	0.3646	0.3646
Echinococcus granulosus	tyrosine protein kinase Src42A	0.004	0.0129	0.0129
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0069	0.0357	0.0545
Trypanosoma brucei	unspecified product	0.0034	0.0077	0.0063
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0043	0.0153	0.0153
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.048	0.3646	0.3646
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0049	0.0196	0.0159
Echinococcus multilocularis	neuropeptides capa receptor	0.048	0.3646	0.3646
Trichomonas vaginalis	tubulin, putative	0.0562	0.43	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.048	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0129	0.0184
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Schistosoma mansoni	tyrosine kinase	0.0054	0.0237	0.0237
Leishmania major	beta tubulin	0.0562	0.43	0.5
Loa Loa (eye worm)	SH2 domain-containing protein	0.0043	0.015	0.0257
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.048	0.3646	0.3646
Echinococcus granulosus	tyrosine protein kinase csk	0.0035	0.0088	0.0088
Echinococcus multilocularis	tyrosine protein kinase csk	0.0035	0.0088	0.0088
Onchocerca volvulus	Neuropeptide F receptor homolog	0.048	0.3646	1
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0223	0.1593	0.1593
Schistosoma mansoni	adenoreceptor	0.048	0.3646	0.3646
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.048	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Brugia malayi	G protein-coupled receptor F59B2.13	0.048	0.3646	0.6571
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Echinococcus granulosus	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Schistosoma mansoni	alpha-1 adrenergic receptor	0.048	0.3646	0.3646
Loa Loa (eye worm)	glutamate receptor	0.0038	0.0114	0.0194
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0054	0.0237	0.0237
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.048	0.3646	0.3646
Schistosoma mansoni	neuropeptide F-like receptor	0.048	0.3646	0.3646
Echinococcus multilocularis	sex peptide receptor	0.048	0.3646	0.3646
Schistosoma mansoni	amine GPCR	0.048	0.3646	0.3646
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.048	0.3646	0.3646
Leishmania major	beta tubulin	0.0562	0.43	0.5
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.048	0.3646	0.3646
Brugia malayi	Tubulin beta-1 chain	0.0562	0.43	0.7754
Echinococcus granulosus	g protein coupled receptor	0.048	0.3646	0.3646
Onchocerca volvulus		0.048	0.3646	1
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Onchocerca volvulus		0.048	0.3646	1
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.012	0.077	0.077
Leishmania major	beta tubulin	0.0562	0.43	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0129	0.0184
Onchocerca volvulus		0.048	0.3646	1
Echinococcus multilocularis	neuropeptide s receptor	0.048	0.3646	0.3646
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0082	0.0462	0.0462
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0043	0.0153	0.0153
Echinococcus granulosus	tyrosine protein kinase csk	0.0035	0.0088	0.0088
Schistosoma mansoni	hypothetical protein	0.048	0.3646	0.3646
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.048	0.3646	0.3646
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.048	0.3646	0.3646
Trypanosoma brucei	beta tubulin	0.0562	0.43	1
Echinococcus granulosus	tyrosine protein kinase HCK	0.0033	0.0068	0.0068
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.048	0.3646	0.3646
Echinococcus multilocularis	serotonin receptor	0.048	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Schistosoma mansoni	amine GPCR	0.048	0.3646	0.3646
Leishmania major	beta tubulin	0.0562	0.43	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0257	0.0307
Schistosoma mansoni	metabotropic glutamate receptor	0.0048	0.0188	0.0188
Loa Loa (eye worm)	BEN-1 protein	0.0562	0.43	0.7754
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.048	0.3646	0.3646
Echinococcus multilocularis	tubulin beta 1 chain	0.0562	0.43	0.43
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Giardia lamblia	Beta tubulin	0.0562	0.43	1
Schistosoma mansoni	tubulin subunit beta	0.0562	0.43	0.43
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.048	0.3646	0.6571
Schistosoma mansoni	tubulin subunit beta	0.0562	0.43	0.43
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Leishmania major	beta tubulin	0.0562	0.43	0.5
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0082	0.0462	0.0462
Schistosoma mansoni	neuropeptide F-like receptor	0.048	0.3646	0.3646
Brugia malayi	GnHR receptor homolog	0.048	0.3646	0.6571
Brugia malayi	Serotonin receptor	0.048	0.3646	0.6571
Entamoeba histolytica	tubulin family protein	0.0562	0.43	1
Echinococcus multilocularis	Furin 1	0.0069	0.0357	0.0357
Brugia malayi	SH2 domain containing protein	0.0046	0.0174	0.0301
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0129	0.0184
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Loa Loa (eye worm)	hypothetical protein	0.0717	0.5544	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.048	0.3646	0.3646
Schistosoma mansoni	neuropeptide receptor	0.048	0.3646	0.3646
Brugia malayi	hypothetical protein	0.048	0.3646	0.6571
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0129	0.0184
Echinococcus multilocularis	neuropeptide Y receptor	0.048	0.3646	0.3646
Trypanosoma brucei	DNA polymerase IV, putative	0.0034	0.0077	0.0063
Onchocerca volvulus		0.048	0.3646	1
Echinococcus granulosus	tubulin subunit beta	0.0562	0.43	0.43
Brugia malayi	putative neuropeptide receptor	0.048	0.3646	0.6571
Schistosoma mansoni	myosin xvIII	0.048	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.048	0.3646	0.3646
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0054	0.0237	0.0237
Leishmania major	beta tubulin	0.0562	0.43	0.5
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Brugia malayi	celfurPC protein	0.0235	0.1685	0.303
Echinococcus granulosus	orexin receptor type 2	0.048	0.3646	0.3646
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0049	0.0196	0.0196
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.048	0.3646	0.3646
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.048	0.3646	0.3646
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0257	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0291	0.2135	0.3843
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0717	0.5544	0.5544
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.048	0.3646	0.3646
Loa Loa (eye worm)	TK protein kinase	0.0043	0.0153	0.0264
Echinococcus multilocularis	Tubulin beta 2C chain	0.0562	0.43	0.43
Schistosoma mansoni	hypothetical protein	0.1274	1	1
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.048	0.3646	1
Trypanosoma cruzi	beta tubulin, putative	0.0562	0.43	1
Echinococcus multilocularis	g protein coupled receptor	0.048	0.3646	0.3646
Echinococcus granulosus	tyrosine kinase	0.0043	0.0153	0.0153
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0069	0.0357	0.0545
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Echinococcus granulosus	c src tyrosine kinase	0.0056	0.0257	0.0257
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Brugia malayi	hypothetical protein	0.048	0.3646	0.6571
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.048	0.3646	0.6571
Schistosoma mansoni	neuropeptide receptor	0.048	0.3646	0.3646
Brugia malayi	hypothetical protein	0.048	0.3646	0.6571
Echinococcus granulosus	neuroendocrine convertase 2	0.0183	0.127	0.127
Echinococcus multilocularis	orexin receptor type 2	0.048	0.3646	0.3646
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0129	0.0184
Schistosoma mansoni	tubulin subunit beta	0.0562	0.43	0.43
Echinococcus granulosus	fmrfamide receptor	0.048	0.3646	0.3646
Echinococcus granulosus	g protein coupled receptor	0.048	0.3646	0.3646
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0054	0.0237	0.0237
Echinococcus granulosus	neuropeptide receptor	0.048	0.3646	0.3646
Toxoplasma gondii	beta-tubulin, putative	0.0562	0.43	1
Echinococcus multilocularis	tubulin subunit beta	0.0562	0.43	0.43
Leishmania major	beta tubulin	0.0562	0.43	0.5
Brugia malayi	hypothetical protein	0.048	0.3646	0.6571
Brugia malayi	G-protein coupled receptor	0.048	0.3646	0.6571
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0177	0.1222	0.262
Brugia malayi	G protein-coupled receptor	0.048	0.3646	0.6571
Echinococcus granulosus	7TM GPCR rhodopsin	0.048	0.3646	0.3646
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0717	0.5544	1
Echinococcus granulosus	tm gpcr rhodopsin	0.048	0.3646	0.3646
Brugia malayi	beta-tubulin, identical	0.0562	0.43	0.7754
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0257	0.0307
Onchocerca volvulus		0.048	0.3646	1
Loa Loa (eye worm)	endoprotease bli-4	0.0291	0.2135	0.3843
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0257	0.0307
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0054	0.0237	0.0237
Echinococcus multilocularis	neuropeptide receptor	0.048	0.3646	0.3646
Echinococcus granulosus	alpha 1A adrenergic receptor	0.048	0.3646	0.3646
Brugia malayi	Dopamine receptor	0.048	0.3646	0.6571
Schistosoma mansoni	tubulin subunit beta	0.0562	0.43	0.43
Entamoeba histolytica	tubulin family protein	0.0562	0.43	1
Echinococcus multilocularis	g-protein coupled receptor	0.048	0.3646	0.3646
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.048	0.3646	0.3646
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0054	0.0237	0.0237
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0129	0.0184
Brugia malayi	Dopamine receptor protein 1	0.048	0.3646	0.6571
Loa Loa (eye worm)	tubulin beta-4 chain	0.0562	0.43	0.7754
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.048	0.3646	0.6571
Schistosoma mansoni	neuropeptide f receptor 76f	0.048	0.3646	0.3646
Echinococcus granulosus	G protein coupled receptor 139	0.048	0.3646	0.3646
Echinococcus granulosus	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0069	0.0357	0.0545
Echinococcus granulosus	metabotropic glutamate receptor 5	0.012	0.077	0.077
Trichomonas vaginalis	tubulin beta chain, putative	0.0562	0.43	1
Onchocerca volvulus		0.048	0.3646	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Brugia malayi	hypothetical protein	0.048	0.3646	0.6571
Schistosoma mansoni	tubulin subunit beta	0.0562	0.43	0.43
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Loa Loa (eye worm)	TK/ABL protein kinase	0.0223	0.1593	0.2863
Giardia lamblia	Beta tubulin	0.0562	0.43	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.048	0.3646	0.3646
Loa Loa (eye worm)	melatonin receptor type 1A	0.048	0.3646	0.6571
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0054	0.0237	0.0237
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0069	0.0357	0.0545
Loa Loa (eye worm)	proprotein convertase 2	0.0069	0.0357	0.0631
Loa Loa (eye worm)	TYRA-2 protein	0.048	0.3646	0.6571
Echinococcus multilocularis	fmrfamide receptor	0.048	0.3646	0.3646
Echinococcus multilocularis	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Echinococcus granulosus	Tubulin beta 2C chain	0.0562	0.43	0.43
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0054	0.0237	0.0237
Schistosoma mansoni	biogenic amine receptor	0.048	0.3646	0.3646
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.048	0.3646	0.3646
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.048	0.3646	0.3646
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.048	0.3646	0.3646
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0033	0.0068	0.0068
Echinococcus multilocularis	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Schistosoma mansoni	furin-1 (S08 family)	0.0127	0.082	0.082
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.048	0.3646	0.3646
Brugia malayi	follicle stimulating hormone receptor	0.048	0.3646	0.6571
Brugia malayi	Tyrosine-protein kinase abl-1	0.0104	0.0641	0.1144
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.0056	0.0257	0.0307
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0177	0.1222	0.1222
Loa Loa (eye worm)	hypothetical protein	0.0114	0.072	0.1287
Schistosoma mansoni	amine GPCR	0.048	0.3646	0.3646
Brugia malayi	metabotropic glutamate receptor type 2	0.0048	0.0188	0.0326
Echinococcus multilocularis	tyrosine protein kinase csk	0.0035	0.0088	0.0088
Echinococcus granulosus	furin	0.0291	0.2135	0.2135
Echinococcus multilocularis	beta tubulin	0.0562	0.43	0.43
Onchocerca volvulus		0.048	0.3646	1
Onchocerca volvulus		0.048	0.3646	1
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0051	0.0079
Echinococcus granulosus	somatostatin receptor	0.048	0.3646	0.3646
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0177	0.1222	0.262
Brugia malayi	SRC-1	0.0054	0.0237	0.0415
Schistosoma mansoni	hypothetical protein	0.048	0.3646	0.3646
Echinococcus granulosus	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Echinococcus multilocularis	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Schistosoma mansoni	tyrosine kinase	0.0213	0.1507	0.1507
Echinococcus multilocularis	allatostatin A receptor	0.048	0.3646	0.3646
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.0056	0.0257	0.0307
Echinococcus granulosus	neuropeptide Y receptor	0.048	0.3646	0.3646
Loa Loa (eye worm)	beta-tubulin	0.0562	0.43	0.7754
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.0129	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.048	0.3646	0.3646
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.048	0.3646	0.3646
Brugia malayi	hypothetical protein	0.048	0.3646	0.6571
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Trypanosoma brucei	beta tubulin	0.0562	0.43	1
Brugia malayi	putative neuropeptide receptor NPR1	0.048	0.3646	0.6571
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Echinococcus multilocularis	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Schistosoma mansoni	growth hormone secretagogue receptor	0.048	0.3646	0.3646
Trypanosoma brucei	beta tubulin	0.0562	0.43	1
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0054	0.0237	0.0237
Onchocerca volvulus		0.048	0.3646	1
Schistosoma mansoni	amine GPCR	0.048	0.3646	0.3646
Loa Loa (eye worm)	glutamate receptor	0.0098	0.0589	0.1051
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.004	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Schistosoma mansoni	tyrosine kinase	0.0054	0.0237	0.0237
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.048	0.3646	0.3646
Brugia malayi	Dopamine receptor protein 2	0.048	0.3646	0.6571
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Brugia malayi	hypothetical protein	0.048	0.3646	0.6571
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0054	0.0237	0.0237
Echinococcus multilocularis	dnaJ subfamily B	0.1274	1	1
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0069	0.0357	0.0545
Leishmania major	beta tubulin	0.0562	0.43	0.5
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.048	0.3646	0.3646
Schistosoma mansoni	biogenic amine (5HT) receptor	0.048	0.3646	0.3646
Echinococcus granulosus	neuropeptide receptor A26	0.048	0.3646	0.3646
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.048	0.3646	0.3646
Brugia malayi	proprotein convertase 2	0.0183	0.127	0.228
Loa Loa (eye worm)	tubulin beta chain	0.0562	0.43	0.7754
Schistosoma mansoni	biogenic amine receptor	0.048	0.3646	0.3646
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.048	0.3646	0.3646
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0129	0.0184
Brugia malayi	larval opioid receptor	0.048	0.3646	0.6571
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.048	0.3646	0.6571
Schistosoma mansoni	biogenic amine (5HT) receptor	0.048	0.3646	0.3646
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0043	0.0153	0.0153
Brugia malayi	neuroendocrine convertase 1 precursor	0.0183	0.127	0.228
Echinococcus multilocularis		0.0235	0.1685	0.1685
Echinococcus multilocularis	Tubulin beta 2C chain	0.0562	0.43	0.43
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0054	0.0237	0.0237
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0054	0.0237	0.0237
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Echinococcus granulosus	serotonin receptor	0.048	0.3646	0.3646
Onchocerca volvulus		0.048	0.3646	1
Echinococcus multilocularis	neuroendocrine convertase 2	0.0183	0.127	0.127
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.048	0.3646	0.3646
Onchocerca volvulus		0.048	0.3646	1
Echinococcus granulosus	sex peptide receptor	0.048	0.3646	0.3646
Echinococcus multilocularis	beta tubulin	0.0562	0.43	0.43
Echinococcus multilocularis	neuropeptide receptor	0.048	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0129	0.0184
Trichomonas vaginalis	tubulin gamma chain, putative	0.0562	0.43	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.048	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0177	0.1222	0.1222
Echinococcus granulosus	hypothetical protein	0.048	0.3646	0.3646
Trichomonas vaginalis	hypothetical protein	0.0056	0.0257	0.0307
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0562	0.43	1
Echinococcus granulosus	beta tubulin	0.0562	0.43	0.43
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0562	0.43	1
Onchocerca volvulus		0.048	0.3646	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0104	0.0641	0.0641
Brugia malayi	neuropeptide F receptor	0.048	0.3646	0.6571
Brugia malayi	protein-tyrosine kinase	0.0043	0.0153	0.0264
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0223	0.1593	0.1593
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0043	0.0153	0.0153
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0069	0.0357	0.0545
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.048	0.3646	0.6571
Trichomonas vaginalis	tubulin alpha chain, putative	0.0562	0.43	1
Echinococcus granulosus	g-protein coupled receptor	0.048	0.3646	0.3646
Plasmodium falciparum	tubulin beta chain	0.0562	0.43	1
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Echinococcus granulosus	tachykinin peptides receptor 99D	0.048	0.3646	0.3646
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0098	0.0589	0.1051
Echinococcus multilocularis	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Leishmania major	beta tubulin	0.0562	0.43	0.5
Brugia malayi	Melatonin receptor type 1A	0.048	0.3646	0.6571
Schistosoma mansoni	hypothetical protein	0.0056	0.0257	0.0257
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.048	0.3646	0.6571
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0257	0.0307
Giardia lamblia	Beta tubulin	0.0562	0.43	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0196	0.034
Echinococcus multilocularis	dna polymerase kappa	0.004	0.0129	0.0129
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.0129	0.5
Loa Loa (eye worm)	SRC-1	0.0054	0.0237	0.0415
Schistosoma mansoni	hypothetical protein	0.048	0.3646	0.3646
Brugia malayi	RE15519p	0.048	0.3646	0.6571
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0054	0.0237	0.0237
Echinococcus granulosus	neuropeptide FF receptor 2	0.0717	0.5544	0.5544
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.048	0.3646	0.3646
Echinococcus multilocularis	Tubulin beta 2C chain	0.0562	0.43	0.43
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Brugia malayi	G-protein coupled receptor	0.048	0.3646	0.6571
Onchocerca volvulus		0.048	0.3646	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.048	0.3646	0.3646
Echinococcus granulosus	Tubulin beta 2C chain	0.0562	0.43	0.43
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0054	0.0237	0.0237
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0257	0.0307
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.048	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Echinococcus granulosus	allatostatin A receptor	0.048	0.3646	0.3646
Echinococcus granulosus	tubulin beta 1 chain	0.0562	0.43	0.43
Echinococcus multilocularis	serotonin receptor	0.048	0.3646	0.3646
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.048	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0129	0.0184
Loa Loa (eye worm)	tubulin beta-2A chain	0.0562	0.43	0.7754
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.048	0.3646	0.6571
Leishmania major	beta tubulin	0.0562	0.43	0.5
Echinococcus granulosus	tubulin beta 4A class IVa	0.0562	0.43	0.43
Echinococcus granulosus	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Echinococcus granulosus	biogenic amine 5HT receptor	0.048	0.3646	0.3646
Echinococcus granulosus	tm gpcr rhodopsin	0.048	0.3646	0.3646
Echinococcus multilocularis	neuropeptide receptor A26	0.048	0.3646	0.3646
Echinococcus granulosus	neuropeptides capa receptor	0.048	0.3646	0.3646
Echinococcus multilocularis	c src tyrosine kinase	0.0056	0.0257	0.0257
Giardia lamblia	High cysteine membrane protein Group 2	0.0108	0.0672	0.1026
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0257	0.0307
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0291	0.2135	0.2135
Schistosoma mansoni	tyrosine kinase	0.0056	0.0257	0.0257
Schistosoma mansoni	neuropeptide receptor	0.048	0.3646	0.3646
Echinococcus granulosus	biogenic amine 5HT receptor	0.048	0.3646	0.3646
Echinococcus granulosus	Tubulin beta 2C chain	0.0562	0.43	0.43
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Schistosoma mansoni	hypothetical protein	0.048	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.048	0.3646	0.3646
Brugia malayi	Tyrosine-protein kinase abl-1	0.0129	0.0842	0.1508
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.048	0.3646	0.3646
Brugia malayi	neuropeptide F receptor	0.048	0.3646	0.6571
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0054	0.0237	0.0237
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0049	0.0196	0.0196
Brugia malayi	sulfakinin receptor protein	0.048	0.3646	0.6571
Echinococcus multilocularis	G protein coupled receptor 139	0.048	0.3646	0.3646
Leishmania major	beta tubulin	0.0562	0.43	0.5
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Onchocerca volvulus		0.048	0.3646	1
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Echinococcus granulosus	beta tubulin	0.0562	0.43	0.43
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.048	0.3646	0.3646
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0049	0.0196	0.034
Loa Loa (eye worm)	TK protein kinase	0.0033	0.0068	0.0109
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.048	0.3646	0.6571
Leishmania major	beta tubulin	0.0562	0.43	0.5
Onchocerca volvulus		0.048	0.3646	1
Brugia malayi	hypothetical protein	0.048	0.3646	0.6571
Echinococcus multilocularis	tyrosine protein kinase csk	0.0035	0.0088	0.0088
Toxoplasma gondii	beta-1 tubulin, putative	0.0562	0.43	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.048	0.3646	0.3646
Echinococcus granulosus	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Schistosoma mansoni	cathepsin D (A01 family)	0.0143	0.0954	0.0954
Echinococcus multilocularis	dro:myosuppressin receptor	0.048	0.3646	0.3646
Echinococcus granulosus	7tm_1 domain containing protein	0.048	0.3646	0.3646
Echinococcus granulosus	Tubulin beta 2C chain	0.0562	0.43	0.43
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0049	0.0196	0.0196
Trypanosoma brucei	beta tubulin	0.0562	0.43	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0054	0.0237	0.0237
Brugia malayi	hypothetical protein	0.048	0.3646	0.6571
Echinococcus granulosus	neuropeptide receptor	0.048	0.3646	0.3646
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.048	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Plasmodium vivax	tubulin beta chain, putative	0.0562	0.43	1
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0111	0.0696	0.0696
Echinococcus multilocularis	Tubulin beta 2C chain	0.0562	0.43	0.43
Echinococcus multilocularis	g protein coupled receptor	0.048	0.3646	0.3646
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.048	0.3646	0.3646
Echinococcus granulosus	dro:myosuppressin receptor	0.048	0.3646	0.3646
Brugia malayi	polk-prov protein	0.0031	0.0051	0.0079
Echinococcus multilocularis	neuropeptides capa receptor	0.048	0.3646	0.3646
Echinococcus granulosus	tm gpcr rhodopsin	0.048	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Schistosoma mansoni	opsin-like receptor	0.048	0.3646	0.3646
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0257	0.0307
Brugia malayi	hypothetical protein	0.048	0.3646	0.6571
Loa Loa (eye worm)	TK/CSK protein kinase	0.0035	0.0088	0.0146
Brugia malayi	endoprotease bli-4 precursor	0.0291	0.2135	0.3843
Loa Loa (eye worm)	G-protein coupled receptor	0.048	0.3646	0.6571
Leishmania major	beta tubulin	0.0562	0.43	0.5
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0472	0.0839
Schistosoma mansoni	amine GPCR	0.048	0.3646	0.3646
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.0069	0.0357	0.0357
Echinococcus granulosus	neuropeptide s receptor	0.048	0.3646	0.3646
Echinococcus granulosus	Furin 1	0.0069	0.0357	0.0357
Echinococcus granulosus	dna polymerase kappa	0.004	0.0129	0.0129
Echinococcus granulosus	tyrosine protein kinase csk	0.0035	0.0088	0.0088
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0257	0.0307
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.048	0.3646	0.3646
Onchocerca volvulus		0.048	0.3646	1
Echinococcus multilocularis	g protein coupled receptor	0.048	0.3646	0.3646
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0089	0.0515	0.0918
Echinococcus granulosus	Tubulin beta 2C chain	0.0562	0.43	0.43
Schistosoma mansoni	cathepsin D (A01 family)	0.0143	0.0954	0.0954
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0562	0.43	0.43
Schistosoma mansoni	biogenic amine receptor	0.048	0.3646	0.3646
Echinococcus multilocularis	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Echinococcus multilocularis	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.012	0.077	0.1377
Toxoplasma gondii	beta tubulin	0.0562	0.43	1
Echinococcus granulosus	neuropeptide Y receptor	0.048	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.048	0.3646	0.6571
Echinococcus multilocularis	fmrfamide receptor	0.048	0.3646	0.3646
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0257	0.0307
Schistosoma mansoni	histamine h1 receptor	0.048	0.3646	0.3646
Echinococcus multilocularis	Tubulin beta 2C chain	0.0562	0.43	0.43
Echinococcus granulosus	neuropeptides capa receptor	0.048	0.3646	0.3646
Echinococcus multilocularis	somatostatin receptor	0.048	0.3646	0.3646
Onchocerca volvulus		0.048	0.3646	1
Loa Loa (eye worm)	neuropeptide F receptor	0.048	0.3646	0.6571
Schistosoma mansoni	opsin-like receptor	0.048	0.3646	0.3646
Brugia malayi	AKH receptor	0.048	0.3646	0.6571
Echinococcus multilocularis	neuropeptide Y receptor	0.048	0.3646	0.3646
Loa Loa (eye worm)	G-protein coupled receptor	0.048	0.3646	0.6571
Loa Loa (eye worm)	BEN-1 protein	0.0562	0.43	0.7754
Echinococcus granulosus	tyrosine protein kinase Blk	0.0043	0.0153	0.0153
Leishmania major	beta tubulin	0.0562	0.43	0.5
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.048	0.3646	0.6571
Echinococcus granulosus	g protein coupled receptor	0.048	0.3646	0.3646
Echinococcus granulosus	peptide allatostatin:somatostatin	0.048	0.3646	0.3646
Leishmania major	beta tubulin	0.0562	0.43	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.048	0.3646	0.6571
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.048	0.3646	0.3646
Schistosoma mansoni	tubulin subunit beta	0.0562	0.43	0.43
Echinococcus granulosus	rhodopsin orphan GPCR	0.048	0.3646	0.3646
Loa Loa (eye worm)	tubulin beta-1 chain	0.0562	0.43	0.7754
Loa Loa (eye worm)	hypothetical protein	0.048	0.3646	0.6571
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0257	0.0307
Echinococcus multilocularis	tyrosine protein kinase csk	0.0035	0.0088	0.0088
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0054	0.0237	0.0237

Activities

Activity type	Activity value	Assay description	Source	Reference
ID50 (functional)	= 4.5 nM ml-1	In vitro inhibitory activity against growth of KB cells derived from human epidermoid carcinoma of the mouth	ChEMBL.	6502608
ID50 (functional)	= 4.5 nM ml-1	In vitro inhibitory activity against growth of KB cells derived from human epidermoid carcinoma of the mouth	ChEMBL.	6502608
ID50 (functional)	= 1.2 ug ml-1	In vitro inhibitory activity against growth of KB cells derived from human epidermoid carcinoma of the mouth	ChEMBL.	6502608
ID50 (functional)	= 1.2 ug ml-1	In vitro inhibitory activity against growth of KB cells derived from human epidermoid carcinoma of the mouth	ChEMBL.	6502608
T/C (functional)	= 101 %	In vivo antitumor activity of the compound was measured in mice (P388 leukemia) at dose 100 mg/kg after intraperitoneal administration	ChEMBL.	6502608
T/C (functional)	= 101 %	In vivo antitumor activity of the compound was measured in mice (P388 leukemia) at dose 100 mg/kg after intraperitoneal administration	ChEMBL.	6502608
T/C (functional)	= 115 %	In vivo antitumor activity of the compound was measured in mice (P388 leukemia) at dose 400 mg/kg after intraperitoneal administration	ChEMBL.	6502608
T/C (functional)	= 115 %	In vivo antitumor activity of the compound was measured in mice (P388 leukemia) at dose 400 mg/kg after intraperitoneal administration	ChEMBL.	6502608
T/C (functional)	= 116 %	In vivo antitumor activity of the compound was measured in mice (P388 leukemia) at dose 200 mg/kg after intraperitoneal administration	ChEMBL.	6502608
T/C (functional)	= 116 %	In vivo antitumor activity of the compound was measured in mice (P388 leukemia) at dose 200 mg/kg after intraperitoneal administration	ChEMBL.	6502608

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

ChEMBL: CHEMBL49032

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 71536