TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 776.969 | Formula: C41H69NaO12
H donors: 4 H acceptors: 5 LogP: 5.8 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: CO[C@H]1[C@@H](C)[C@H](O[C@@]([C@H]1C)(O)[C@@H](C(=O)[O-])C)[C@@H](C1O[C@@]2(CC[C@@](O2)(C)[C@H]2CC[C@@](O2)(C)[C@@H]2O[C@H](C[C@@H]2C)[C@H]2O[C@](C)(O)[C@@H](C[C@@H]2C)C)C[C@@H]([C@@H]1C)O)C.[Na+]
InChi: 1S/C41H70O12.Na/c1-20-17-22(3)39(11,45)50-31(20)29-18-21(2)35(48-29)38(10)14-13-30(49-38)37(9)15-16-40(53-37)19-28(42)23(4)32(51-40)24(5)33-25(6)34(47-12)26(7)41(46,52-33)27(8)36(43)44;/h20-35,42,45-46H,13-19H2,1-12H3,(H,43,44);/q;+1/p-1/t20-,21-,22+,23-,24+,25-,26-,27+,28-,29+,30+,31-,32?,33+,34-,35+,37-,38-,39-,40+,41+;/m0./s1
InChiKey: CPFAJMOABNHQTP-CFSXMIRQSA-M

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	0.13013	0.435109	0.852515
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.13013	0.435109	0.725684
Brugia malayi	Melatonin receptor type 1A	0.13013	0.435109	0.536044
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Onchocerca volvulus		0.13013	0.435109	1
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0470833	0.103731	0.5
Schistosoma mansoni	myosin xvIII	0.13013	0.435109	0.725684
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Onchocerca volvulus		0.0470833	0.103731	0.238402
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.13013	0.435109	0.852515
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.13013	0.435109	0.725684
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.13013	0.435109	0.725684
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Loa Loa (eye worm)	hypothetical protein	0.12896	0.430443	0.843373
Echinococcus granulosus	neuropeptide s receptor	0.13013	0.435109	0.435109
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.13013	0.435109	0.536044
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Schistosoma mansoni	neuropeptide receptor	0.13013	0.435109	0.725684
Brugia malayi	Dopamine receptor protein 2	0.13013	0.435109	0.536044
Echinococcus multilocularis	conserved hypothetical protein	0.141567	0.480746	0.801799
Echinococcus multilocularis	neuropeptide receptor	0.171348	0.599584	1
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Brugia malayi	G protein-coupled receptor F59B2.13	0.13013	0.435109	0.536044
Brugia malayi	G protein-coupled receptor	0.13013	0.435109	0.536044
Onchocerca volvulus		0.12896	0.430443	0.989277
Schistosoma mansoni	biogenic amine receptor	0.13013	0.435109	0.725684
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.13013	0.435109	0.725684
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.13013	0.435109	0.725684
Echinococcus granulosus	sex peptide receptor	0.13013	0.435109	0.435109
Echinococcus granulosus	7TM GPCR rhodopsin	0.13013	0.435109	0.435109
Echinococcus multilocularis	rhodopsin orphan GPCR	0.13013	0.435109	0.725684
Schistosoma mansoni	amine GPCR	0.13013	0.435109	0.725684
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.13013	0.435109	0.725684
Echinococcus granulosus	tm gpcr rhodopsin	0.13013	0.435109	0.435109
Onchocerca volvulus		0.13013	0.435109	1
Brugia malayi	hypothetical protein	0.13013	0.435109	0.536044
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.13013	0.435109	0.852515
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus granulosus	neuropeptide Y receptor	0.13013	0.435109	0.435109
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus multilocularis	fmrfamide receptor	0.13013	0.435109	0.725684
Echinococcus multilocularis	rhodopsin orphan GPCR	0.13013	0.435109	0.725684
Echinococcus granulosus	biogenic amine 5HT receptor	0.13013	0.435109	0.435109
Echinococcus granulosus	G protein coupled receptor 139	0.13013	0.435109	0.435109
Mycobacterium ulcerans	secreted antigen 85-C FbpC	0.118547	0.388891	1
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Brugia malayi	hypothetical protein	0.13013	0.435109	0.536044
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.13013	0.435109	0.725684
Echinococcus granulosus	somatostatin receptor	0.13013	0.435109	0.435109
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus granulosus	tm gpcr rhodopsin	0.13013	0.435109	0.435109
Schistosoma mansoni	biogenic amine (5HT) receptor	0.13013	0.435109	0.725684
Echinococcus multilocularis	rhodopsin orphan GPCR	0.13013	0.435109	0.725684
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.13013	0.435109	0.725684
Schistosoma mansoni	growth hormone secretagogue receptor	0.13013	0.435109	0.725684
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.13013	0.435109	0.725684
Brugia malayi	Tachykinin-like peptides receptor 99D	0.13013	0.435109	0.536044
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.13013	0.435109	0.435109
Echinococcus granulosus	biogenic amine 5HT receptor	0.13013	0.435109	0.435109
Onchocerca volvulus		0.13013	0.435109	1
Echinococcus multilocularis	g-protein coupled receptor	0.13013	0.435109	0.725684
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus multilocularis	rhodopsin orphan GPCR	0.13013	0.435109	0.725684
Brugia malayi	larval opioid receptor	0.13013	0.435109	0.536044
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.130947	0.43837	0.731124
Onchocerca volvulus		0.13013	0.435109	1
Loa Loa (eye worm)	neuropeptide F receptor	0.13013	0.435109	0.852515
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.13013	0.435109	0.852515
Echinococcus granulosus	g protein coupled receptor	0.13013	0.435109	0.435109
Echinococcus granulosus	rhodopsin orphan GPCR	0.13013	0.435109	0.435109
Onchocerca volvulus		0.107873	0.346297	0.795887
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.13013	0.435109	0.725684
Brugia malayi	Serotonin receptor	0.13013	0.435109	0.536044
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus granulosus	dro:myosuppressin receptor	0.13013	0.435109	0.435109
Echinococcus multilocularis	neuropeptide FF receptor 2	0.13013	0.435109	0.725684
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus granulosus	neuropeptides capa receptor	0.13013	0.435109	0.435109
Schistosoma mansoni	neuropeptide receptor	0.13013	0.435109	0.725684
Brugia malayi	sulfakinin receptor protein	0.13013	0.435109	0.536044
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.13013	0.435109	0.536044
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus granulosus	rhodopsin orphan GPCR	0.13013	0.435109	0.435109
Onchocerca volvulus		0.13013	0.435109	1
Brugia malayi	Dopamine receptor	0.13013	0.435109	0.536044
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus granulosus	g-protein coupled receptor	0.13013	0.435109	0.435109
Brugia malayi	Serotonin receptor	0.224507	0.811703	1
Brugia malayi	AKH receptor	0.13013	0.435109	0.536044
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.13013	0.435109	0.435109
Echinococcus multilocularis	neuropeptide receptor A26	0.13013	0.435109	0.725684
Loa Loa (eye worm)	TK/ROR protein kinase	0.0470833	0.103731	0.203241
Echinococcus multilocularis	neuropeptide Y receptor	0.13013	0.435109	0.725684
Echinococcus multilocularis	rhodopsin orphan GPCR	0.13013	0.435109	0.725684
Toxoplasma gondii	kringle domain-containing protein	0.0470833	0.103731	1
Schistosoma mansoni	neuropeptide receptor	0.13013	0.435109	0.725684
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.13013	0.435109	0.725684
Onchocerca volvulus		0.13013	0.435109	1
Echinococcus granulosus	7tm_1 domain containing protein	0.13013	0.435109	0.435109
Echinococcus multilocularis	g protein coupled receptor	0.13013	0.435109	0.725684
Onchocerca volvulus		0.13013	0.435109	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.13013	0.435109	0.435109
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.13013	0.435109	0.852515
Echinococcus granulosus	tissue type plasminogen activator	0.0470833	0.103731	0.103731
Brugia malayi	follicle stimulating hormone receptor	0.13013	0.435109	0.536044
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.13013	0.435109	0.725684
Brugia malayi	hypothetical protein	0.13013	0.435109	0.536044
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.13013	0.435109	0.536044
Brugia malayi	putative neuropeptide receptor NPR1	0.13013	0.435109	0.536044
Schistosoma mansoni	amine GPCR	0.13013	0.435109	0.725684
Echinococcus granulosus	gamma secretase subunit aph 1	0.148994	0.510382	0.510382
Onchocerca volvulus		0.13013	0.435109	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.13013	0.435109	0.852515
Echinococcus multilocularis	gamma secretase subunit aph 1	0.148994	0.510382	0.851227
Trypanosoma cruzi	Aph-1 protein, putative	0.0584158	0.14895	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.12896	0.430443	0.717902
Echinococcus granulosus	allatostatin A receptor	0.13013	0.435109	0.435109
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.13013	0.435109	0.725684
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus granulosus	neuropeptide receptor	0.13013	0.435109	0.435109
Onchocerca volvulus		0.13013	0.435109	1
Onchocerca volvulus		0.13013	0.435109	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.13013	0.435109	0.725684
Echinococcus granulosus	neuropeptide receptor	0.171348	0.599584	0.599584
Schistosoma mansoni	amine GPCR	0.13013	0.435109	0.725684
Schistosoma mansoni	neuropeptide f receptor 76f	0.13013	0.435109	0.725684
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Brugia malayi	RE15519p	0.13013	0.435109	0.536044
Onchocerca volvulus		0.13013	0.435109	1
Brugia malayi	putative neuropeptide receptor	0.13013	0.435109	0.536044
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0218805	0.00316428	0.00527745
Brugia malayi	neuropeptide F receptor	0.13013	0.435109	0.536044
Schistosoma mansoni	neuropeptide F-like receptor	0.13013	0.435109	0.725684
Brugia malayi	G-protein coupled receptor	0.13013	0.435109	0.536044
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus multilocularis	G-protein coupled receptor, putative	0.13013	0.435109	0.725684
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus multilocularis	orexin receptor type 2	0.13013	0.435109	0.725684
Mycobacterium tuberculosis	Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C)	0.118547	0.388891	0.5
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus multilocularis	neuropeptide Y receptor	0.13013	0.435109	0.725684
Echinococcus multilocularis	g protein coupled receptor	0.13013	0.435109	0.725684
Leishmania major	hypothetical protein, conserved	0.0470833	0.103731	0.5
Plasmodium falciparum	cysteine repeat modular protein 1	0.0470833	0.103731	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.13013	0.435109	0.725684
Echinococcus granulosus	peptide allatostatin:somatostatin	0.13013	0.435109	0.435109
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.13013	0.435109	0.435109
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.13013	0.435109	0.725684
Echinococcus multilocularis	somatostatin receptor	0.13013	0.435109	0.725684
Loa Loa (eye worm)	TYRA-2 protein	0.13013	0.435109	0.852515
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.13013	0.435109	0.725684
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.13013	0.435109	0.725684
Schistosoma mansoni	opsin-like receptor	0.13013	0.435109	0.725684
Schistosoma mansoni	hypothetical protein	0.0470833	0.103731	0.173004
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.13013	0.435109	0.725684
Onchocerca volvulus		0.13013	0.435109	1
Onchocerca volvulus		0.13013	0.435109	1
Brugia malayi	hypothetical protein	0.13013	0.435109	0.536044
Echinococcus granulosus	neuropeptide Y receptor	0.13013	0.435109	0.435109
Echinococcus multilocularis	dro:myosuppressin receptor	0.13013	0.435109	0.725684
Brugia malayi	Dopamine receptor protein 1	0.13013	0.435109	0.536044
Echinococcus granulosus	neuropeptides capa receptor	0.13013	0.435109	0.435109
Echinococcus multilocularis	G protein coupled receptor 139	0.171348	0.599584	1
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Brugia malayi	hypothetical protein	0.13013	0.435109	0.536044
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Schistosoma mansoni	gamma-secretase subunit aph-1	0.148994	0.510382	0.851227
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Onchocerca volvulus	Neuropeptide F receptor homolog	0.13013	0.435109	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.13013	0.435109	0.725684
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.13013	0.435109	0.725684
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus granulosus	neuropeptide FF receptor 2	0.13013	0.435109	0.435109
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.13013	0.435109	0.725684
Schistosoma mansoni	amine GPCR	0.13013	0.435109	0.725684
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Schistosoma mansoni	hypothetical protein	0.13013	0.435109	0.725684
Echinococcus granulosus	hypothetical protein	0.271696	1	1
Echinococcus multilocularis	allatostatin A receptor	0.13013	0.435109	0.725684
Brugia malayi	hypothetical protein	0.13013	0.435109	0.536044
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.13013	0.435109	0.725684
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.13013	0.435109	0.725684
Echinococcus multilocularis	neuropeptides capa receptor	0.13013	0.435109	0.725684
Echinococcus multilocularis	rhodopsin orphan GPCR	0.13013	0.435109	0.725684
Brugia malayi	ORL1-like opioid receptor	0.13013	0.435109	0.536044
Echinococcus multilocularis	rhodopsin orphan GPCR	0.13013	0.435109	0.725684
Brugia malayi	Protein kinase domain containing protein	0.0470833	0.103731	0.127794
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.13013	0.435109	0.435109
Schistosoma mansoni	histamine h1 receptor	0.13013	0.435109	0.725684
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Brugia malayi	GnHR receptor homolog	0.13013	0.435109	0.536044
Echinococcus multilocularis	neuropeptide s receptor	0.13013	0.435109	0.725684
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus multilocularis	serotonin receptor	0.13013	0.435109	0.725684
Echinococcus multilocularis	fmrfamide receptor	0.13013	0.435109	0.725684
Loa Loa (eye worm)	melatonin receptor type 1A	0.13013	0.435109	0.852515
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus multilocularis	g protein coupled receptor	0.13013	0.435109	0.725684
Schistosoma mansoni	alpha-1 adrenergic receptor	0.13013	0.435109	0.725684
Schistosoma mansoni	adenoreceptor	0.13013	0.435109	0.725684
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.13013	0.435109	0.725684
Brugia malayi	hypothetical protein	0.13013	0.435109	0.536044
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus multilocularis	serotonin receptor	0.13013	0.435109	0.725684
Loa Loa (eye worm)	G-protein coupled receptor	0.13013	0.435109	0.852515
Brugia malayi	G-protein coupled receptor	0.13013	0.435109	0.536044
Schistosoma mansoni	hypothetical protein	0.13013	0.435109	0.725684
Brugia malayi	hypothetical protein	0.13013	0.435109	0.536044
Brugia malayi	Trypsin family protein	0.12896	0.430443	0.530296
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.13013	0.435109	0.435109
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.148994	0.510382	1
Echinococcus granulosus	g protein coupled receptor	0.13013	0.435109	0.435109
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.13013	0.435109	0.536044
Echinococcus granulosus	fmrfamide receptor	0.13013	0.435109	0.435109
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Brugia malayi	hypothetical protein	0.13013	0.435109	0.536044
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.13013	0.435109	0.725684
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.13013	0.435109	0.725684
Echinococcus granulosus	serotonin receptor	0.13013	0.435109	0.435109
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.13013	0.435109	0.725684
Schistosoma mansoni	opsin-like receptor	0.13013	0.435109	0.725684
Echinococcus granulosus	neuropeptide receptor A26	0.13013	0.435109	0.435109
Echinococcus granulosus	g protein coupled receptor	0.13013	0.435109	0.435109
Trypanosoma brucei	Aph-1 protein, putative	0.0584158	0.14895	0.5
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.13013	0.435109	0.725684
Trypanosoma cruzi	Aph-1 protein, putative	0.0584158	0.14895	1
Onchocerca volvulus		0.13013	0.435109	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.13013	0.435109	0.435109
Schistosoma mansoni	biogenic amine receptor	0.13013	0.435109	0.725684
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.13013	0.435109	0.725684
Onchocerca volvulus		0.13013	0.435109	1
Loa Loa (eye worm)	neuropeptide F receptor	0.13013	0.435109	0.852515
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.13013	0.435109	0.536044
Schistosoma mansoni	biogenic amine (5HT) receptor	0.13013	0.435109	0.725684
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.13013	0.435109	0.725684
Brugia malayi	Kringle domain containing protein	0.0470833	0.103731	0.127794
Schistosoma mansoni	hypothetical protein	0.13013	0.435109	0.725684
Schistosoma mansoni	neuropeptide F-like receptor	0.13013	0.435109	0.725684
Echinococcus granulosus	alpha 1A adrenergic receptor	0.13013	0.435109	0.435109
Echinococcus granulosus	tm gpcr rhodopsin	0.13013	0.435109	0.435109
Brugia malayi	gamma-secretase subunit aph-1	0.148994	0.510382	0.62878
Loa Loa (eye worm)	G-protein coupled receptor	0.13013	0.435109	0.852515
Echinococcus granulosus	rhodopsin orphan GPCR	0.13013	0.435109	0.435109
Mycobacterium leprae	SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C)	0.118547	0.388891	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.13013	0.435109	0.725684
Brugia malayi	neuropeptide F receptor	0.13013	0.435109	0.536044
Echinococcus multilocularis	sex peptide receptor	0.13013	0.435109	0.725684
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.13013	0.435109	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.13013	0.435109	0.725684
Echinococcus granulosus	rhodopsin orphan GPCR	0.13013	0.435109	0.435109
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Onchocerca volvulus		0.13013	0.435109	1
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Schistosoma mansoni	opsin-like receptor	0.13013	0.435109	0.725684
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Schistosoma mansoni	hypothetical protein	0.13013	0.435109	0.725684
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.13013	0.435109	0.725684
Schistosoma mansoni	biogenic amine receptor	0.13013	0.435109	0.725684
Loa Loa (eye worm)	hypothetical protein	0.0470833	0.103731	0.203241
Echinococcus multilocularis	neuropeptide receptor	0.13013	0.435109	0.725684
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.13013	0.435109	0.725684
Brugia malayi	hypothetical protein	0.13013	0.435109	0.536044
Echinococcus granulosus	tachykinin peptides receptor 99D	0.13013	0.435109	0.435109
Echinococcus granulosus	rhodopsin orphan GPCR	0.13013	0.435109	0.435109
Echinococcus multilocularis	tissue type plasminogen activator	0.0470833	0.103731	0.173004
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.13013	0.435109	0.725684
Echinococcus multilocularis	neuropeptides capa receptor	0.13013	0.435109	0.725684
Echinococcus granulosus	orexin receptor type 2	0.13013	0.435109	0.435109
Schistosoma mansoni	neuropeptide receptor	0.171348	0.599584	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.13013	0.435109	0.435109
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Loa Loa (eye worm)	hypothetical protein	0.13013	0.435109	0.852515
Loa Loa (eye worm)	hypothetical protein	0.12896	0.430443	0.843373
Onchocerca volvulus		0.13013	0.435109	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.13013	0.435109	0.725684
Schistosoma mansoni	amine GPCR	0.13013	0.435109	0.725684

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50	> 10 uM	NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)	ChEMBL.	18579783
EC50 (functional)	= 0.938 uM	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
EC50 (functional)	= 1.135 uM	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	18579783

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: CHEMBL2079780

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1675468