TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 618.584 | Formula: C33H30O12
H donors: 3 H acceptors: 6 LogP: 4.81 Rotable bonds: 15
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(ccc1O)C(=O)OCc1cc(COC(=O)c2ccc(c(c2)OC)O)cc(c1)COC(=O)c1ccc(c(c1)OC)O
InChi: 1S/C33H30O12/c1-40-28-13-22(4-7-25(28)34)31(37)43-16-19-10-20(17-44-32(38)23-5-8-26(35)29(14-23)41-2)12-21(11-19)18-45-33(39)24-6-9-27(36)30(15-24)42-3/h4-15,34-36H,16-18H2,1-3H3
InChiKey: SRTMPHPQVYKQHX-UHFFFAOYSA-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
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0116	0.2144	0.2856
Echinococcus multilocularis	survival motor neuron protein 1	0.0234	0.4903	1
Schistosoma mansoni	amine GPCR	0.0116	0.2144	0.5568
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1069	0.1424
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus granulosus	neuropeptides capa receptor	0.0116	0.2144	0.4094
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0116	0.2144	0.2856
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0116	0.2144	0.4094
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus granulosus	somatostatin receptor	0.0116	0.2144	0.4094
Echinococcus granulosus	neuropeptide receptor	0.0116	0.2144	0.4094
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0	0.5
Trichomonas vaginalis	esterase, putative	0.0071	0.1069	0.5
Onchocerca volvulus		0.0116	0.2144	0.928
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0073	0.1138	0.1941
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0116	0.2144	0.2856
Mycobacterium leprae	Probable lipase LipE	0.0071	0.1069	0.5
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1369	0.1823
Echinococcus multilocularis	neuropeptide Y receptor	0.0116	0.2144	0.4094
Echinococcus granulosus	sex peptide receptor	0.0116	0.2144	0.4094
Trichomonas vaginalis	penicillin-binding protein, putative	0.0071	0.1069	0.5
Echinococcus granulosus	neuropeptide receptor	0.0116	0.2144	0.4094
Schistosoma mansoni	neuropeptide receptor	0.0116	0.2144	0.5568
Schistosoma mansoni	neuropeptide F-like receptor	0.0116	0.2144	0.5568
Loa Loa (eye worm)	G-protein coupled receptor	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus multilocularis	neuropeptide s receptor	0.0116	0.2144	0.4094
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1069	0.1424
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0116	0.2144	0.5568
Echinococcus granulosus	g protein coupled receptor	0.0116	0.2144	0.4094
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus granulosus	serotonin receptor	0.0116	0.2144	0.4094
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0116	0.2144	0.4094
Onchocerca volvulus		0.0071	0.1069	0.3092
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Brugia malayi	G protein-coupled receptor	0.0116	0.2144	0.2856
Loa Loa (eye worm)	beta-lactamase	0.0071	0.1069	0.1424
Brugia malayi	neuropeptide F receptor	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus multilocularis	fmrfamide receptor	0.0116	0.2144	0.4094
Echinococcus multilocularis	dro:myosuppressin receptor	0.0116	0.2144	0.4094
Leishmania major	hypothetical protein, conserved	0.0071	0.1069	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0116	0.2144	0.4094
Echinococcus granulosus	neuropeptide receptor A26	0.0116	0.2144	0.4094
Loa Loa (eye worm)	hypothetical protein	0.0122	0.2269	0.3022
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0184	0.3734	0.7497
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus granulosus	biogenic amine 5HT receptor	0.0116	0.2144	0.4094
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0116	0.2144	0.4094
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0116	0.2144	0.5568
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0184	0.3734	0.7497
Brugia malayi	Serotonin receptor	0.0116	0.2144	0.2856
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0116	0.2144	0.4094
Loa Loa (eye worm)	neuropeptide F receptor	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Brugia malayi	hypothetical protein	0.0116	0.2144	0.2856
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0231	0.0235
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0116	0.2144	0.5568
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0532	0.1074
Loa Loa (eye worm)	G-protein coupled receptor	0.0116	0.2144	0.2856
Onchocerca volvulus		0.0116	0.2144	0.928
Brugia malayi	hypothetical protein	0.0116	0.2144	0.2856
Brugia malayi	PHD-finger family protein	0.0051	0.0609	0.0811
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0116	0.2144	0.4094
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0116	0.2144	0.5568
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus multilocularis	zinc finger protein	0.004	0.0353	0.0259
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0116	0.2144	0.4094
Brugia malayi	hypothetical protein	0.0116	0.2144	0.2856
Schistosoma mansoni	amine GPCR	0.0116	0.2144	0.5568
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0184	0.3734	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0057	0.075	0.1681
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0116	0.2144	0.5568
Echinococcus multilocularis	g protein coupled receptor	0.0116	0.2144	0.4094
Onchocerca volvulus		0.0116	0.2144	0.928
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Schistosoma mansoni	growth hormone secretagogue receptor	0.0116	0.2144	0.5568
Mycobacterium ulcerans	hypothetical protein	0.0071	0.1069	1
Brugia malayi	Dopamine receptor protein 1	0.0116	0.2144	0.2856
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0116	0.2144	0.5568
Schistosoma mansoni	amine GPCR	0.0116	0.2144	0.5568
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus granulosus	g-protein coupled receptor	0.0116	0.2144	0.4094
Schistosoma mansoni	hypothetical protein	0.0116	0.2144	0.5568
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0116	0.2144	0.4094
Mycobacterium tuberculosis	Probable lipase LipD	0.0071	0.1069	0.0345
Echinococcus granulosus	neuropeptide FF receptor 2	0.0116	0.2144	0.4094
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0116	0.2144	0.4094
Onchocerca volvulus		0.0116	0.2144	0.928
Echinococcus granulosus	neuropeptide s receptor	0.0116	0.2144	0.4094
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0116	0.2144	0.5568
Mycobacterium tuberculosis	Conserved protein	0.0071	0.1069	0.0345
Schistosoma mansoni	opsin-like receptor	0.0116	0.2144	0.5568
Brugia malayi	ORL1-like opioid receptor	0.0116	0.2144	0.2856
Brugia malayi	Bromodomain containing protein	0.0078	0.1252	0.1667
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0053	0.066	0.0879
Onchocerca volvulus		0.0116	0.2144	0.928
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0116	0.2144	0.4094
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus multilocularis	serotonin receptor	0.0116	0.2144	0.4094
Brugia malayi	beta-lactamase	0.0071	0.1069	0.1424
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0116	0.2144	0.5568
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0122	0.228	0.4385
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0116	0.2144	0.5568
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.1069	1
Echinococcus granulosus	7tm_1 domain containing protein	0.0116	0.2144	0.4094
Brugia malayi	follicle stimulating hormone receptor	0.0344	0.7509	1
Brugia malayi	Melatonin receptor type 1A	0.0116	0.2144	0.2856
Onchocerca volvulus		0.0116	0.2144	0.928
Brugia malayi	hypothetical protein	0.0122	0.2269	0.3022
Echinococcus granulosus	tm gpcr rhodopsin	0.0116	0.2144	0.4094
Toxoplasma gondii	ABC1 family protein	0.0071	0.1069	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0071	0.1069	1
Echinococcus multilocularis	serotonin receptor	0.0116	0.2144	0.4094
Schistosoma mansoni	biogenic amine receptor	0.0116	0.2144	0.5568
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0116	0.2144	0.4094
Mycobacterium tuberculosis	Conserved protein	0.0071	0.1069	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0071	0.1069	0.1794
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0116	0.2144	0.5568
Mycobacterium ulcerans	esterase/lipase LipP	0.0071	0.1069	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0184	0.3734	0.4973
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0116	0.2144	0.5568
Mycobacterium ulcerans	lipase LipD	0.0071	0.1069	1
Loa Loa (eye worm)	hypothetical protein	0.0234	0.4903	0.653
Echinococcus granulosus	G protein coupled receptor 139	0.0116	0.2144	0.4094
Brugia malayi	GnHR receptor homolog	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Schistosoma mansoni	neuropeptide F-like receptor	0.0116	0.2144	0.5568
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Brugia malayi	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0116	0.2144	0.4094
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0122	0.2269	0.3022
Echinococcus multilocularis	neuropeptides capa receptor	0.0116	0.2144	0.4094
Schistosoma mansoni	biogenic amine receptor	0.0116	0.2144	0.5568
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0184	0.3734	0.7497
Echinococcus multilocularis	neuropeptide receptor	0.0116	0.2144	0.4094
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0116	0.2144	0.4094
Schistosoma mansoni	hypothetical protein	0.0116	0.2144	0.5568
Echinococcus multilocularis	neuropeptide Y receptor	0.0116	0.2144	0.4094
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Onchocerca volvulus		0.0116	0.2144	0.928
Mycobacterium leprae	conserved hypothetical protein	0.0071	0.1069	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0073	0.1138	0.1941
Onchocerca volvulus		0.0116	0.2144	0.928
Schistosoma mansoni	amine GPCR	0.0116	0.2144	0.5568
Echinococcus granulosus	neuropeptides capa receptor	0.0116	0.2144	0.4094
Schistosoma mansoni	opsin-like receptor	0.0116	0.2144	0.5568
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Schistosoma mansoni	hypothetical protein	0.0048	0.0532	0.1074
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.1069	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0116	0.2144	0.4094
Onchocerca volvulus		0.0116	0.2144	0.928
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Loa Loa (eye worm)	TYRA-2 protein	0.0116	0.2144	0.2856
Onchocerca volvulus		0.0116	0.2144	0.928
Onchocerca volvulus		0.0116	0.2144	0.928
Brugia malayi	AKH receptor	0.0116	0.2144	0.2856
Schistosoma mansoni	histamine h1 receptor	0.0116	0.2144	0.5568
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0057	0.075	0.7014
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0116	0.2144	0.5568
Echinococcus granulosus	fetal alzheimer antigen falz	0.0046	0.0495	0.0564
Echinococcus multilocularis	neuropeptide receptor A26	0.0116	0.2144	0.4094
Schistosoma mansoni	opsin-like receptor	0.0116	0.2144	0.5568
Echinococcus granulosus	biogenic amine 5HT receptor	0.0116	0.2144	0.4094
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0116	0.2144	0.5568
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0071	0.1069	0.1424
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0116	0.2144	0.5568
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0116	0.2144	0.4094
Echinococcus granulosus	survival motor neuron protein 1	0.0234	0.4903	1
Schistosoma mansoni	neuropeptide receptor	0.0116	0.2144	0.5568
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0071	0.1069	0.0345
Echinococcus multilocularis	somatostatin receptor	0.0116	0.2144	0.4094
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0116	0.2144	0.5568
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0116	0.2144	0.5568
Echinococcus granulosus	orexin receptor type 2	0.0116	0.2144	0.4094
Schistosoma mansoni	hypothetical protein	0.0116	0.2144	0.5568
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0184	0.3734	0.7497
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus multilocularis	orexin receptor type 2	0.0116	0.2144	0.4094
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Brugia malayi	Dopamine receptor	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus granulosus	allatostatin A receptor	0.0116	0.2144	0.4094
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0	0.5
Trypanosoma cruzi	ISWI complex protein	0.0031	0.0147	0.1375
Schistosoma mansoni	adenoreceptor	0.0116	0.2144	0.5568
Brugia malayi	neuropeptide F receptor	0.0116	0.2144	0.2856
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0116	0.2144	0.5568
Plasmodium vivax	hypothetical protein, conserved	0.0071	0.1069	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0071	0.1069	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1255	0.1672
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0116	0.2144	0.5568
Echinococcus multilocularis	neuropeptide receptor	0.0116	0.2144	0.4094
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0184	0.3734	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0046	0.0495	0.097
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0071	0.1069	0.2571
Brugia malayi	G protein-coupled receptor F59B2.13	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1069	0.1424
Onchocerca volvulus		0.0116	0.2144	0.928
Echinococcus granulosus	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0116	0.2144	0.5568
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Trypanosoma cruzi	ISWI complex protein	0.0031	0.0147	0.1375
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0116	0.2144	0.928
Brugia malayi	G-protein coupled receptor	0.0116	0.2144	0.2856
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0116	0.2144	0.2856
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.1069	0.5
Echinococcus multilocularis	sex peptide receptor	0.0116	0.2144	0.4094
Brugia malayi	sulfakinin receptor protein	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus granulosus	hypothetical protein	0.0116	0.2144	0.4094
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0116	0.2144	0.5568
Onchocerca volvulus		0.0116	0.2144	0.928
Mycobacterium tuberculosis	Probable esterase LipL	0.0071	0.1069	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0344	0.7509	1
Brugia malayi	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus granulosus	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Brugia malayi	putative neuropeptide receptor	0.0116	0.2144	0.2856
Echinococcus granulosus	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Schistosoma mansoni	amine GPCR	0.0116	0.2144	0.5568
Loa Loa (eye worm)	hypothetical protein	0.0145	0.2809	0.3741
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0071	0.1069	0.0345
Echinococcus granulosus	zinc finger protein	0.004	0.0353	0.0259
Loa Loa (eye worm)	melatonin receptor type 1A	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus granulosus	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Schistosoma mansoni	neuropeptide receptor	0.0116	0.2144	0.5568
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0116	0.2144	0.4094
Brugia malayi	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0116	0.2144	0.4094
Echinococcus multilocularis	G protein coupled receptor 139	0.0116	0.2144	0.4094
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0116	0.2144	0.4094
Brugia malayi	Dopamine receptor protein 2	0.0116	0.2144	0.2856
Brugia malayi	beta-lactamase family protein	0.0071	0.1069	0.1424
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0116	0.2144	0.2856
Trichomonas vaginalis	penicillin-binding protein, putative	0.0071	0.1069	0.5
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.075	0.111
Schistosoma mansoni	zinc finger protein	0.004	0.0353	0.0573
Brugia malayi	hypothetical protein	0.0116	0.2144	0.2856
Onchocerca volvulus	Huntingtin homolog	0.0122	0.2269	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus granulosus	dro:myosuppressin receptor	0.0116	0.2144	0.4094
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.1069	0.5
Onchocerca volvulus		0.0071	0.1069	0.3092
Onchocerca volvulus		0.0071	0.1069	0.3092
Onchocerca volvulus	Huntingtin homolog	0.0122	0.2269	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0071	0.1069	0.1794
Onchocerca volvulus		0.0116	0.2144	0.928
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Brugia malayi	putative neuropeptide receptor NPR1	0.0116	0.2144	0.2856
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0184	0.3734	0.4973
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Trypanosoma brucei	hypothetical protein, conserved	0.0071	0.1069	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.075	0.111
Loa Loa (eye worm)	bromodomain containing protein	0.0036	0.0261	0.0347
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0057	0.075	0.0999
Mycobacterium ulcerans	beta-lactamase	0.0071	0.1069	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0116	0.2144	0.2856
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0116	0.2144	0.4094
Brugia malayi	hypothetical protein	0.0116	0.2144	0.2856
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0071	0.1069	0.0345
Echinococcus multilocularis	fmrfamide receptor	0.0116	0.2144	0.4094
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0116	0.2144	0.4094
Echinococcus multilocularis	allatostatin A receptor	0.0116	0.2144	0.4094
Brugia malayi	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus granulosus	tm gpcr rhodopsin	0.0116	0.2144	0.4094
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0071	0.1069	0.1424
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0035	0.0231	0.0235
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0116	0.2144	0.2856
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0116	0.2144	0.5568
Onchocerca volvulus		0.0116	0.2144	0.928
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0116	0.2144	0.4094
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0071	0.1069	0.2571
Schistosoma mansoni	neuropeptide receptor	0.0116	0.2144	0.5568
Brugia malayi	hypothetical protein	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1069	0.1424
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0116	0.2144	0.4094
Brugia malayi	Serotonin receptor	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Onchocerca volvulus		0.0116	0.2144	0.928
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.1069	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0116	0.2144	0.4094
Loa Loa (eye worm)	PHD-finger family protein	0.0042	0.0403	0.0537
Leishmania major	hypothetical protein, conserved	0.0031	0.0147	0.1375
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Brugia malayi	larval opioid receptor	0.0116	0.2144	0.2856
Onchocerca volvulus		0.0116	0.2144	0.928
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1069	0.1424
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0116	0.2144	0.928
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0116	0.2144	0.4094
Schistosoma mansoni	hypothetical protein	0.0042	0.0403	0.0714
Mycobacterium tuberculosis	Probable hydrolase	0.0071	0.1069	0.0345
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0035	0.0231	0.0235
Echinococcus granulosus	g protein coupled receptor	0.0116	0.2144	0.4094
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Brugia malayi	G-protein coupled receptor	0.0116	0.2144	0.2856
Echinococcus granulosus	neuropeptide Y receptor	0.0116	0.2144	0.4094
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0122	0.228	0.4385
Schistosoma mansoni	myosin xvIII	0.0116	0.2144	0.5568
Echinococcus granulosus	fmrfamide receptor	0.0116	0.2144	0.4094
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0116	0.2144	0.4094
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1069	0.1424
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0231	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0231	0.0308
Schistosoma mansoni	biogenic amine receptor	0.0116	0.2144	0.5568
Schistosoma mansoni	hypothetical protein	0.0116	0.2144	0.5568
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus granulosus	7TM GPCR rhodopsin	0.0116	0.2144	0.4094
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0532	0.0709
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0116	0.2144	0.5568
Echinococcus granulosus	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0116	0.2144	0.5568
Echinococcus granulosus	g protein coupled receptor	0.0116	0.2144	0.4094
Echinococcus granulosus	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus multilocularis	g protein coupled receptor	0.0116	0.2144	0.4094
Schistosoma mansoni	bromodomain containing protein	0.0129	0.2452	0.6426
Brugia malayi	hypothetical protein	0.0234	0.4903	0.653
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2144	0.2856
Echinococcus multilocularis	g protein coupled receptor	0.0116	0.2144	0.4094
Schistosoma mansoni	neuropeptide f receptor 76f	0.0116	0.2144	0.5568
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0184	0.3734	1
Brugia malayi	RE15519p	0.0116	0.2144	0.2856
Brugia malayi	beta-lactamase family protein	0.0071	0.1069	0.1424
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0046	0.0495	0.0564
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0116	0.2144	0.2856
Echinococcus multilocularis	g-protein coupled receptor	0.0116	0.2144	0.4094
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0116	0.2144	0.4094
Trypanosoma brucei	ISWI complex protein	0.0031	0.0147	0.1375
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0116	0.2144	0.4094
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0116	0.2144	0.4094
Mycobacterium tuberculosis	Conserved protein	0.0071	0.1069	0.0345
Echinococcus granulosus	neuropeptide Y receptor	0.0116	0.2144	0.4094
Loa Loa (eye worm)	neuropeptide F receptor	0.0116	0.2144	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1461	0.1945
Brugia malayi	Bromodomain containing protein	0.0153	0.3015	0.4015
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0116	0.2144	0.5568
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0116	0.2144	0.5568

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 19 uM	Anticancer activity against human OE33 cells after 24 hrs by MTT assay	ChEMBL.	20466556
IC50 (functional)	= 23 uM	Anticancer activity against human A549 cells after 24 hrs by MTT assay	ChEMBL.	20466556
IC50 (functional)	= 28 uM	Anticancer activity against human T98G cells after 24 hrs by MTT assay	ChEMBL.	20466556
IC50 (functional)	= 29 uM	Anticancer activity against human LoVo cells after 24 hrs by MTT assay	ChEMBL.	20466556
IC50 (ADMET)	= 30 uM	Cytotoxicity against human NHDF cells by MTT assay	ChEMBL.	20466556
IC50 (functional)	= 30 uM	Anticancer activity against human PC3 cells after 24 hrs by MTT assay	ChEMBL.	20466556
IC50 (functional)	= 41 uM	Anticancer activity against mouse B16F10 cells after 24 hrs by MTT assay	ChEMBL.	20466556
IC50 (functional)	= 55 uM	Anticancer activity against human MCF7 cells after 24 hrs by MTT assay	ChEMBL.	20466556

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	20466556

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: CHEMBL1163275

Bibliographic References

No literature references available for this target.

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Detailed information for compound 915457