TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 556.606 | Formula: C32H32N2O7
H donors: 2 H acceptors: 4 LogP: 4.24 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCC(C#Cc1cn(C/C=C/2\OC(=O)C(=C2OCc2ccccc2)OCc2ccccc2)c(=O)[nH]c1=O)O
InChi: 1S/C32H32N2O7/c1-2-3-6-15-26(35)17-16-25-20-34(32(38)33-30(25)36)19-18-27-28(39-21-23-11-7-4-8-12-23)29(31(37)41-27)40-22-24-13-9-5-10-14-24/h4-5,7-14,18,20,26,35H,2-3,6,15,19,21-22H2,1H3,(H,33,36,38)/b27-18-
InChiKey: KFMDIGKUSPOPHX-IMRQLAEWSA-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
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0091	0.0047	0.1478
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Schistosoma mansoni	hypothetical protein	0.013	0.0242	0.7644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.013	0.0242	0.7644
Schistosoma mansoni	growth hormone secretagogue receptor	0.013	0.0242	0.7644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Echinococcus granulosus	neuropeptide receptor	0.013	0.0242	0.0242
Schistosoma mansoni	neuropeptide F-like receptor	0.013	0.0242	0.7644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Brugia malayi	neuropeptide F receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Brugia malayi	hypothetical protein	0.013	0.0242	0.7644
Echinococcus multilocularis	neuropeptide receptor	0.013	0.0242	0.0242
Brugia malayi	hypothetical protein	0.013	0.0242	0.7644
Onchocerca volvulus		0.013	0.0242	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.013	0.0242	0.7644
Echinococcus multilocularis	neuropeptide Y receptor	0.013	0.0242	0.0242
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.013	0.0242	0.0242
Echinococcus granulosus	allatostatin A receptor	0.013	0.0242	0.0242
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.013	0.0242	0.0242
Echinococcus granulosus	neuropeptides capa receptor	0.013	0.0242	0.0242
Brugia malayi	sulfakinin receptor protein	0.013	0.0242	0.7644
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.0242	0.7644
Brugia malayi	Melatonin receptor type 1A	0.013	0.0242	0.7644
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.013	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.013	0.0242	0.0242
Echinococcus granulosus	peptide allatostatin:somatostatin	0.013	0.0242	0.0242
Echinococcus granulosus	orexin receptor type 2	0.013	0.0242	0.0242
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.013	0.0242	0.0242
Schistosoma mansoni	neuropeptide receptor	0.013	0.0242	0.7644
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0091	0.0047	0.1478
Echinococcus granulosus	tm gpcr rhodopsin	0.013	0.0242	0.0242
Echinococcus multilocularis	g-protein coupled receptor	0.013	0.0242	0.0242
Brugia malayi	Tachykinin-like peptides receptor 99D	0.013	0.0242	0.7644
Schistosoma mansoni	myosin xvIII	0.013	0.0242	0.7644
Brugia malayi	hypothetical protein	0.013	0.0242	0.7644
Giardia lamblia	GTOR	0.0145	0.0316	0.5
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Schistosoma mansoni	hypothetical protein	0.013	0.0242	0.7644
Echinococcus granulosus	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.0242	0.7644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.0242	0.7644
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.0242	0.7644
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.013	0.0242	0.0242
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.013	0.0242	0.7644
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0145	0.0316	1
Echinococcus multilocularis	G protein coupled receptor 139	0.013	0.0242	0.0242
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0145	0.0316	1
Schistosoma mansoni	biogenic amine receptor	0.013	0.0242	0.7644
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0145	0.0316	1
Brugia malayi	RE15519p	0.013	0.0242	0.7644
Schistosoma mansoni	histamine h1 receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Schistosoma mansoni	opsin-like receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Schistosoma mansoni	amine GPCR	0.013	0.0242	0.7644
Schistosoma mansoni	neuropeptide receptor	0.013	0.0242	0.7644
Echinococcus multilocularis	neuropeptide Y receptor	0.013	0.0242	0.0242
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.013	0.0242	0.7644
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0145	0.0316	1
Echinococcus granulosus	tm gpcr rhodopsin	0.013	0.0242	0.0242
Brugia malayi	Serotonin receptor	0.013	0.0242	0.7644
Brugia malayi	hypothetical protein	0.013	0.0242	0.7644
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.013	0.0242	0.0242
Echinococcus multilocularis	fmrfamide receptor	0.013	0.0242	0.0242
Echinococcus granulosus	neuropeptide FF receptor 2	0.013	0.0242	0.0242
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.013	0.0242	0.7644
Loa Loa (eye worm)	phosphatidylinositol 3	0.0145	0.0316	1
Echinococcus granulosus	G protein coupled receptor 139	0.013	0.0242	0.0242
Schistosoma mansoni	neuropeptide receptor	0.013	0.0242	0.7644
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.013	0.0242	0.0242
Echinococcus multilocularis	neuropeptides capa receptor	0.013	0.0242	0.0242
Brugia malayi	ORL1-like opioid receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0145	0.0316	0.0316
Echinococcus multilocularis	serotonin receptor	0.013	0.0242	0.0242
Brugia malayi	hypothetical protein	0.013	0.0242	0.7644
Onchocerca volvulus		0.013	0.0242	0.5
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0145	0.0316	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Echinococcus granulosus	tm gpcr rhodopsin	0.013	0.0242	0.0242
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.013	0.0242	0.0242
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Echinococcus multilocularis	g protein coupled receptor	0.013	0.0242	0.0242
Echinococcus granulosus	g protein coupled receptor	0.013	0.0242	0.0242
Echinococcus granulosus	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.2086	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.0242	0.7644
Echinococcus granulosus	7tm_1 domain containing protein	0.013	0.0242	0.0242
Brugia malayi	Dopamine receptor protein 2	0.013	0.0242	0.7644
Brugia malayi	G protein-coupled receptor F59B2.13	0.013	0.0242	0.7644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0145	0.0316	1
Onchocerca volvulus		0.013	0.0242	0.5
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.013	0.0242	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Onchocerca volvulus		0.013	0.0242	0.5
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.013	0.0242	0.0242
Echinococcus granulosus	hypothetical protein	0.013	0.0242	0.0242
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Trypanosoma cruzi	hypothetical protein, conserved	0.073	0.3232	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.013	0.0242	0.0242
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.013	0.0242	0.7644
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.013	0.0242	0.7644
Echinococcus granulosus	neuropeptide s receptor	0.013	0.0242	0.0242
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0145	0.0316	1
Brugia malayi	hypothetical protein	0.013	0.0242	0.7644
Echinococcus multilocularis	g protein coupled receptor	0.013	0.0242	0.0242
Brugia malayi	hypothetical protein	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Echinococcus granulosus	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.013	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.013	0.0242	0.0242
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Onchocerca volvulus		0.013	0.0242	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Echinococcus multilocularis	neuropeptide s receptor	0.013	0.0242	0.0242
Echinococcus granulosus	neuropeptide Y receptor	0.013	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Schistosoma mansoni	amine GPCR	0.013	0.0242	0.7644
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.013	0.0242	0.7644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Onchocerca volvulus		0.013	0.0242	0.5
Echinococcus granulosus	g protein coupled receptor	0.013	0.0242	0.0242
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Echinococcus multilocularis	allatostatin A receptor	0.013	0.0242	0.0242
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0145	0.0316	0.0316
Echinococcus granulosus	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.013	0.0242	0.0242
Echinococcus granulosus	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Echinococcus granulosus	neuropeptides capa receptor	0.013	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.013	0.0242	0.7644
Brugia malayi	Serotonin receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Schistosoma mansoni	hypothetical protein	0.013	0.0242	0.7644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.013	0.0242	0.0242
Schistosoma mansoni	amine GPCR	0.013	0.0242	0.7644
Echinococcus granulosus	g protein coupled receptor	0.013	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Schistosoma mansoni	amine GPCR	0.013	0.0242	0.7644
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.013	0.0242	0.7644
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.013	0.0242	0.0242
Brugia malayi	putative neuropeptide receptor NPR1	0.013	0.0242	0.7644
Schistosoma mansoni	biogenic amine receptor	0.013	0.0242	0.7644
Brugia malayi	putative neuropeptide receptor	0.013	0.0242	0.7644
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Onchocerca volvulus		0.013	0.0242	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.013	0.0242	0.7644
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.013	0.0242	0.7644
Brugia malayi	hypothetical protein	0.013	0.0242	0.7644
Onchocerca volvulus		0.013	0.0242	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Echinococcus granulosus	7TM GPCR rhodopsin	0.013	0.0242	0.0242
Brugia malayi	Dopamine receptor protein 1	0.013	0.0242	0.7644
Echinococcus multilocularis	neuropeptide receptor	0.013	0.0242	0.0242
Echinococcus multilocularis	somatostatin receptor	0.013	0.0242	0.0242
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Echinococcus granulosus	tachykinin peptides receptor 99D	0.013	0.0242	0.0242
Onchocerca volvulus		0.013	0.0242	0.5
Leishmania major	hypothetical protein, conserved	0.0757	0.3371	1
Schistosoma mansoni	adenoreceptor	0.013	0.0242	0.7644
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.013	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Loa Loa (eye worm)	TYRA-2 protein	0.013	0.0242	0.7644
Echinococcus multilocularis	fmrfamide receptor	0.013	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.013	0.0242	0.7644
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.013	0.0242	0.7644
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0145	0.0316	0.0316
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0145	0.0316	1
Echinococcus multilocularis	g protein coupled receptor	0.013	0.0242	0.0242
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0091	0.0047	0.1478
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0047	0.1478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.013	0.0242	0.0242
Onchocerca volvulus		0.013	0.0242	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Onchocerca volvulus		0.013	0.0242	0.5
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Schistosoma mansoni	neuropeptide F-like receptor	0.013	0.0242	0.7644
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0145	0.0316	1
Brugia malayi	G-protein coupled receptor	0.013	0.0242	0.7644
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Echinococcus granulosus	neuropeptide receptor	0.013	0.0242	0.0242
Echinococcus granulosus	somatostatin receptor	0.013	0.0242	0.0242
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0145	0.0316	1
Brugia malayi	hypothetical protein	0.013	0.0242	0.7644
Trichomonas vaginalis	conserved hypothetical protein	0.0091	0.0047	0.1478
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.013	0.0242	0.0242
Echinococcus granulosus	serotonin receptor	0.013	0.0242	0.0242
Echinococcus multilocularis	neuropeptide receptor A26	0.013	0.0242	0.0242
Onchocerca volvulus		0.013	0.0242	0.5
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Schistosoma mansoni	opsin-like receptor	0.013	0.0242	0.7644
Onchocerca volvulus		0.013	0.0242	0.5
Brugia malayi	G-protein coupled receptor	0.013	0.0242	0.7644
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0145	0.0316	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.013	0.0242	0.0242
Schistosoma mansoni	neuropeptide f receptor 76f	0.013	0.0242	0.7644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Brugia malayi	AKH receptor	0.013	0.0242	0.7644
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Echinococcus multilocularis	neuropeptide FF receptor 2	0.013	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0145	0.0316	0.0978
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.0242	0.7644
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.013	0.0242	0.7644
Echinococcus multilocularis	sex peptide receptor	0.013	0.0242	0.0242
Echinococcus granulosus	dro:myosuppressin receptor	0.013	0.0242	0.0242
Onchocerca volvulus		0.013	0.0242	0.5
Brugia malayi	Dopamine receptor	0.013	0.0242	0.7644
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.013	0.0242	0.7644
Echinococcus granulosus	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.013	0.0242	0.7644
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0145	0.0316	0.0978
Echinococcus multilocularis	orexin receptor type 2	0.013	0.0242	0.0242
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Brugia malayi	larval opioid receptor	0.013	0.0242	0.7644
Schistosoma mansoni	biogenic amine receptor	0.013	0.0242	0.7644
Echinococcus granulosus	g-protein coupled receptor	0.013	0.0242	0.0242
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0145	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Brugia malayi	GnHR receptor homolog	0.013	0.0242	0.7644
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.0242	0.7644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Echinococcus granulosus	sex peptide receptor	0.013	0.0242	0.0242
Echinococcus granulosus	neuropeptide receptor A26	0.013	0.0242	0.0242
Echinococcus granulosus	biogenic amine 5HT receptor	0.013	0.0242	0.0242
Brugia malayi	neuropeptide F receptor	0.013	0.0242	0.7644
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Brugia malayi	follicle stimulating hormone receptor	0.013	0.0242	0.7644
Onchocerca volvulus		0.013	0.0242	0.5
Echinococcus granulosus	alpha 1A adrenergic receptor	0.013	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0145	0.0316	0.0978
Brugia malayi	G protein-coupled receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	G-protein coupled receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Echinococcus granulosus	biogenic amine 5HT receptor	0.013	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Schistosoma mansoni	biogenic amine (5HT) receptor	0.013	0.0242	0.7644
Schistosoma mansoni	neuropeptide receptor	0.013	0.0242	0.7644
Onchocerca volvulus		0.013	0.0242	0.5
Schistosoma mansoni	amine GPCR	0.013	0.0242	0.7644
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Trypanosoma cruzi	target of rapamycin kinase 3	0.0145	0.0316	0.0978
Brugia malayi	hypothetical protein	0.013	0.0242	0.7644
Echinococcus granulosus	fmrfamide receptor	0.013	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Echinococcus multilocularis	rhodopsin orphan GPCR	0.013	0.0242	0.0242
Echinococcus granulosus	neuropeptide Y receptor	0.013	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Schistosoma mansoni	hypothetical protein	0.013	0.0242	0.7644
Schistosoma mansoni	alpha-1 adrenergic receptor	0.013	0.0242	0.7644
Echinococcus multilocularis	serotonin receptor	0.013	0.0242	0.0242
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	neuropeptide F receptor	0.013	0.0242	0.7644
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0145	0.0316	0.0978
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0145	0.0316	0.0316
Onchocerca volvulus	Neuropeptide F receptor homolog	0.013	0.0242	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.013	0.0242	0.7644
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0145	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.013	0.0242	0.0242
Onchocerca volvulus		0.013	0.0242	0.5
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0316	1
Loa Loa (eye worm)	neuropeptide F receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	G-protein coupled receptor	0.013	0.0242	0.7644
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.013	0.0242	0.7644
Schistosoma mansoni	opsin-like receptor	0.013	0.0242	0.7644
Loa Loa (eye worm)	hypothetical protein	0.013	0.0242	0.7644
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.013	0.0242	0.0242
Echinococcus multilocularis	neuropeptides capa receptor	0.013	0.0242	0.0242

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	>= 33 uM	Cytotoxicity against human HEL cells assessed as reduction of cell growth	ChEMBL.	17672445
CC50 (ADMET)	>= 33 uM	Cytotoxicity against human HEL cells assessed as reduction of cell growth	ChEMBL.	17672445
EC50 (functional)	= 28.4 uM	Antiviral activity against CMV Davis in human HEL cells after 7 days	ChEMBL.	17672445
EC50 (functional)	= 49 uM	Antiviral activity against thymidine kinase deficient VZV 07/1 in human HEL cells after 7 days	ChEMBL.	17672445
EC50 (functional)	= 51 uM	Antiviral activity against thymidine kinase-positive VZV OKA in human HEL cells after 7 days	ChEMBL.	17672445
EC50 (functional)	>= 100 uM	Antiviral activity against CMV AD169 in human HEL cells after 7 days	ChEMBL.	17672445
IC50 (functional)	= 23 uM	Antiproliferative activity against SW620 cells after 72 hrs by MTT assay	ChEMBL.	17672445
IC50 (functional)	= 23 uM	Antiproliferative activity against SW620 cells after 72 hrs by MTT assay	ChEMBL.	17672445
IC50 (functional)	= 35 uM	Antiproliferative activity against HeLa cells after 72 hrs by MTT assay	ChEMBL.	17672445
IC50 (functional)	= 35 uM	Antiproliferative activity against HeLa cells after 72 hrs by MTT assay	ChEMBL.	17672445
IC50 (functional)	= 37 uM	Antiproliferative activity against MiaPaCa2 cells after 72 hrs by MTT assay	ChEMBL.	17672445
IC50 (functional)	= 37 uM	Antiproliferative activity against MiaPaCa2 cells after 72 hrs by MTT assay	ChEMBL.	17672445
IC50 (functional)	= 45 uM	Antiproliferative activity against human CEM cells after 72 hrs by MTT assay	ChEMBL.	17672445
IC50 (functional)	= 45 uM	Antiproliferative activity against human CEM cells after 72 hrs by MTT assay	ChEMBL.	17672445
IC50 (functional)	= 55 uM	Antiproliferative activity against MCF7 cells after 72 hrs by MTT assay	ChEMBL.	17672445
IC50 (functional)	= 55 uM	Antiproliferative activity against MCF7 cells after 72 hrs by MTT assay	ChEMBL.	17672445
IC50 (functional)	= 82 uM	Antiproliferative activity against mouse L1210 cells after 72 hrs by MTT assay	ChEMBL.	17672445
IC50 (functional)	= 82 uM	Antiproliferative activity against mouse L1210 cells after 72 hrs by MTT assay	ChEMBL.	17672445
IC50 (functional)	> 100 uM	Antiproliferative activity against H460 cells after 72 hrs by MTT assay	ChEMBL.	17672445
IC50 (functional)	> 100 uM	Antiproliferative activity against H460 cells after 72 hrs by MTT assay	ChEMBL.	17672445
IC50 (functional)	= 167 uM	Antiproliferative activity against human Molt4/C8 cells after 72 hrs by MTT assay	ChEMBL.	17672445
MCC (ADMET)	>= 100 uM	Cytotoxicity against human HEL cells assessed as alteration in cell morphology	ChEMBL.	17672445
MCC (ADMET)	>= 100 uM	Cytotoxicity against human HEL cells assessed as alteration in cell morphology	ChEMBL.	17672445
MIC (functional)	> 8 uM	Antiviral activity against Parainfluenza 3 virus in Vero cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17672445
MIC (functional)	> 8 uM	Antiviral activity against HSV1 KOS in HEL cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17672445
MIC (functional)	> 8 uM	Antiviral activity against HSV2 G in HEL cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17672445
MIC (functional)	> 8 uM	Antiviral activity against Vaccinia virus in HEL cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17672445
MIC (functional)	> 8 uM	Antiviral activity against Reovirus 1 in Vero cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17672445
MIC (functional)	> 8 uM	Antiviral activity against Sindbis virus in Vero cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17672445
MIC (functional)	> 8 uM	Antiviral activity against Coxsackie virus B4 in Vero cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17672445
MIC (functional)	> 8 uM	Antiviral activity against Punta Toro virus in Vero cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17672445
MIC (functional)	= 40 uM	Antiviral activity against VSV in HeLa cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17672445
MIC (functional)	> 40 uM	Antiviral activity against RSV in HeLa cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17672445

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: CHEMBL244983

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 433213