TDR Targets

Basic information

Technical information

TDR Targets ID: 148965
Name: (2E,4E,6Z)-7-[2-methoxy-3,5-di(propan-2-yl)ph enyl]-3-methylocta-2,4,6-trienoic acid
MW: 342.472 | Formula: C22H30O3
H donors: 1 H acceptors: 2 LogP: 6.63 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(cc(cc1C(C)C)C(C)C)/C(=C\C=C\C(=C\C(=O)O)\C)/C
InChi: 1S/C22H30O3/c1-14(2)18-12-19(15(3)4)22(25-7)20(13-18)17(6)10-8-9-16(5)11-21(23)24/h8-15H,1-7H3,(H,23,24)/b9-8+,16-11+,17-10-
InChiKey: LPWCYKDBURUOIZ-HNBVHFCESA-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

(2E,4E,6Z)-7-(3,5-diisopropyl-2-methoxy-phenyl)-3-methyl-octa-2,4,6-trienoic acid
(2E,4E,6Z)-7-(3,5-diisopropyl-2-methoxyphenyl)-3-methylocta-2,4,6-trienoic acid
(2E,4E,6Z)-7-[2-methoxy-3,5-di(propan-2-yl)phenyl]-3-methyl-octa-2,4,6-trienoic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	retinoid X receptor, alpha	Starlite/ChEMBL	References
Homo sapiens	peroxisome proliferator-activated receptor gamma		References
Homo sapiens	retinoic acid receptor, gamma	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	nuclear hormone receptor	Get druggable targets OG5_131607	All targets in OG5_131607
Schistosoma japonicum	ko:K08524 nuclear receptor, subfamily 2, group B, member 1, putative	Get druggable targets OG5_130073	All targets in OG5_130073
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	Get druggable targets OG5_131607	All targets in OG5_131607
Echinococcus granulosus	retinoic acid receptor rxr beta a	Get druggable targets OG5_130073	All targets in OG5_130073
Loa Loa (eye worm)	nuclear receptor nhr-7B	Get druggable targets OG5_131607	All targets in OG5_131607
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	Get druggable targets OG5_130073	All targets in OG5_130073
Schistosoma mansoni	retinoic acid receptor RXR	Get druggable targets OG5_130073	All targets in OG5_130073
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131607	All targets in OG5_131607

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	ecdysteroid receptor	retinoid X receptor, alpha	435 aa	352 aa	23.9 %
Echinococcus granulosus	ecdysone induced protein 78C	peroxisome proliferator-activated receptor gamma	477 aa	447 aa	28.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0068	0.0629
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0068	0.0629
Echinococcus multilocularis	somatostatin receptor	0.0047	0.014	0.2774
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.014	0.2774
Brugia malayi	putative neuropeptide receptor	0.0047	0.014	0.1288
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0047	0.014	0.2774
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0068	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0007	0.0067
Schistosoma mansoni	opsin-like receptor	0.0047	0.014	0.2444
Loa Loa (eye worm)	TYRA-2 protein	0.0047	0.014	0.1288
Brugia malayi	Nuclear hormone receptor-like 1	0.0031	0.0068	0.0629
Schistosoma mansoni	hypothetical protein	0.0047	0.014	0.2444
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0047	0.014	0.2774
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Schistosoma mansoni	thyroid hormone receptor	0.0031	0.0068	0.1193
Brugia malayi	neuropeptide F receptor	0.0047	0.014	0.1288
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0016	0.0007	0.0128
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0047	0.014	0.2444
Schistosoma mansoni	opsin-like receptor	0.0047	0.014	0.2444
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0031	0.0068	0.0629
Echinococcus granulosus	somatostatin receptor	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0031	0.0068	0.0629
Echinococcus granulosus	serotonin receptor	0.0047	0.014	0.2444
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0047	0.014	0.2774
Schistosoma mansoni	neuropeptide f receptor 76f	0.0047	0.014	0.2444
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0047	0.014	0.2444
Schistosoma mansoni	thyroid hormone receptor	0.0031	0.0068	0.1193
Schistosoma mansoni	histamine h1 receptor	0.0047	0.014	0.2444
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0047	0.014	0.2774
Brugia malayi	Dopamine receptor protein 1	0.0047	0.014	0.1288
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0031	0.0068	0.0629
Onchocerca volvulus		0.0047	0.014	0.1212
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0047	0.014	0.2774
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus multilocularis	neuropeptide receptor	0.0047	0.014	0.2774
Schistosoma mansoni	nuclear hormone receptor	0.0031	0.0068	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0044	0.0126	0.2494
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus multilocularis	sex peptide receptor	0.0047	0.014	0.2774
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Schistosoma mansoni	neuropeptide receptor	0.0047	0.014	0.2444
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0047	0.014	0.1212
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0031	0.0068	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0068	0.0629
Toxoplasma gondii	eukaryotic initiation factor-2B, gamma subunit, putative	0.0436	0.1784	0.5
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	0.2377	1	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0047	0.014	0.1288
Brugia malayi	hypothetical protein	0.0047	0.014	0.1288
Schistosoma mansoni	biogenic amine receptor	0.0047	0.014	0.2444
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0047	0.014	0.2774
Echinococcus granulosus	ecdysone induced protein 78C	0.0031	0.0068	0.1193
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0047	0.014	0.1288
Brugia malayi	hypothetical protein	0.0016	0.0007	0.0067
Onchocerca volvulus		0.0047	0.014	0.1212
Schistosoma mansoni	voltage-gated potassium channel	0.0048	0.0143	0.2496
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0007	0.0067
Schistosoma mansoni	hypothetical protein	0.0047	0.014	0.2444
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0047	0.014	0.2444
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0031	0.0068	0.1193
Echinococcus multilocularis	neuropeptide Y receptor	0.0047	0.014	0.2774
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.014	0.2444
Echinococcus multilocularis	FTZ F1 alpha	0.0031	0.0068	0.1354
Schistosoma mansoni	amine GPCR	0.0047	0.014	0.2444
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0047	0.014	0.2444
Onchocerca volvulus		0.0047	0.014	0.1212
Onchocerca volvulus		0.0047	0.014	0.1212
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0068	0.0629
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0031	0.0068	0.1193
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0047	0.014	0.1212
Echinococcus multilocularis	neuropeptides capa receptor	0.0047	0.014	0.2774
Echinococcus granulosus	neuropeptide Y receptor	0.0047	0.014	0.2444
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0047	0.014	0.2444
Schistosoma mansoni	neuropeptide receptor	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0068	0.0629
Echinococcus multilocularis	orexin receptor type 2	0.0047	0.014	0.2774
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0044	0.0126	0.1158
Loa Loa (eye worm)	G-protein coupled receptor	0.0047	0.014	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Onchocerca volvulus		0.0047	0.014	0.1212
Brugia malayi	larval opioid receptor	0.0047	0.014	0.1288
Echinococcus multilocularis	fmrfamide receptor	0.0047	0.014	0.2774
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0047	0.014	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0007	0.0067
Loa Loa (eye worm)	cytochrome P450 family protein	0.0074	0.0253	0.2336
Brugia malayi	Serotonin receptor	0.0047	0.014	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0068	0.0629
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0047	0.014	0.2444
Brugia malayi	putative neuropeptide receptor NPR1	0.0047	0.014	0.1288
Schistosoma mansoni	hypothetical protein	0.0047	0.014	0.2444
Schistosoma mansoni	hypothetical protein	0.0047	0.014	0.2444
Onchocerca volvulus		0.0047	0.014	0.1212
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0047	0.014	0.2774
Schistosoma mansoni	growth hormone secretagogue receptor	0.0047	0.014	0.2444
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0031	0.0068	0.1354
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0031	0.0068	0.1193
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0047	0.014	0.2444
Brugia malayi	hypothetical protein	0.0047	0.014	0.1288
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0016	0.0007	0.0128
Echinococcus granulosus	neuropeptide receptor A26	0.0047	0.014	0.2444
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0031	0.0068	0.0629
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0007	0.0067
Loa Loa (eye worm)	G-protein coupled receptor	0.0047	0.014	0.1288
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.014	0.2774
Brugia malayi	hypothetical protein	0.0016	0.0007	0.0067
Echinococcus granulosus	7tm_1 domain containing protein	0.0047	0.014	0.2444
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0047	0.014	0.2774
Brugia malayi	Melatonin receptor type 1A	0.0047	0.014	0.1288
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0031	0.0068	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0031	0.0068	0.0629
Brugia malayi	nuclear hormone receptor	0.0031	0.0068	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus granulosus	g protein coupled receptor	0.0047	0.014	0.2444
Onchocerca volvulus		0.0047	0.014	0.1212
Echinococcus multilocularis	neuropeptide receptor A26	0.0047	0.014	0.2774
Schistosoma mansoni	retinoic acid receptor RXR	0.015	0.0572	1
Echinococcus multilocularis	serotonin receptor	0.0047	0.014	0.2774
Echinococcus granulosus	tm gpcr rhodopsin	0.0047	0.014	0.2444
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0031	0.0068	0.1354
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.014	0.2774
Echinococcus multilocularis	neuropeptide receptor	0.0047	0.014	0.2774
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0031	0.0068	0.0629
Brugia malayi	Steroid receptor seven-up type 2	0.0031	0.0068	0.0629
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0068	0.0629
Treponema pallidum	licC protein (licC)	0.0436	0.1784	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0007	0.0067
Schistosoma mansoni	opsin-like receptor	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0068	0.0629
Echinococcus granulosus	neuropeptide receptor	0.0047	0.014	0.2444
Brugia malayi	RE15519p	0.0047	0.014	0.1288
Schistosoma mansoni	neuropeptide receptor	0.0047	0.014	0.2444
Brugia malayi	steroid hormone receptor	0.0031	0.0068	0.0629
Schistosoma mansoni	adenoreceptor	0.0047	0.014	0.2444
Brugia malayi	Serotonin receptor	0.0047	0.014	0.1288
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0041	0.0113	0.5
Brugia malayi	hypothetical protein	0.0047	0.014	0.1288
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0047	0.014	0.2444
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0068	0.0629
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0041	0.0113	0.5
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0047	0.014	0.1288
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0031	0.0068	0.0629
Schistosoma mansoni	RAR-like nuclear receptor	0.0031	0.0068	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Brugia malayi	G protein-coupled receptor F59B2.13	0.0047	0.014	0.1288
Onchocerca volvulus		0.0047	0.014	0.1212
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Onchocerca volvulus		0.0047	0.014	0.1212
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0031	0.0068	0.1354
Echinococcus multilocularis	neuropeptide Y receptor	0.0047	0.014	0.2774
Brugia malayi	hypothetical protein	0.0047	0.014	0.1288
Loa Loa (eye worm)	neuropeptide F receptor	0.0047	0.014	0.1288
Echinococcus granulosus	tm gpcr rhodopsin	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0047	0.014	0.2444
Schistosoma mansoni	neuropeptide F-like receptor	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus multilocularis	g-protein coupled receptor	0.0047	0.014	0.2774
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0044	0.0126	0.2197
Echinococcus granulosus	orexin receptor type 2	0.0047	0.014	0.2444
Brugia malayi	G-protein coupled receptor	0.0047	0.014	0.1288
Echinococcus multilocularis	serotonin receptor	0.0047	0.014	0.2774
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0031	0.0068	0.0629
Onchocerca volvulus		0.0047	0.014	0.1212
Onchocerca volvulus		0.0047	0.014	0.1212
Brugia malayi	G protein-coupled receptor	0.0047	0.014	0.1288
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0007	0.0067
Echinococcus multilocularis	neuropeptides capa receptor	0.0047	0.014	0.2774
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0007	0.0067
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0047	0.014	0.1288
Schistosoma mansoni	amine GPCR	0.0047	0.014	0.2444
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0016	0.0007	0.0067
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0047	0.014	0.2444
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0047	0.014	0.2444
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0031	0.0068	0.1193
Brugia malayi	AKH receptor	0.0047	0.014	0.1288
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0016	0.0007	0.0128
Echinococcus granulosus	neuropeptides capa receptor	0.0047	0.014	0.2444
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0044	0.0126	0.1158
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0031	0.0068	0.0629
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Schistosoma mansoni	biogenic amine receptor	0.0047	0.014	0.2444
Brugia malayi	hypothetical protein	0.0047	0.014	0.1288
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.0068	0.1193
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0047	0.014	0.2774
Loa Loa (eye worm)	neuropeptide F receptor	0.0047	0.014	0.1288
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.014	0.2444
Brugia malayi	follicle stimulating hormone receptor	0.0047	0.014	0.1288
Onchocerca volvulus		0.0047	0.014	0.1212
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus granulosus	hypothetical protein	0.0047	0.014	0.2444
Onchocerca volvulus		0.0047	0.014	0.1212
Echinococcus granulosus	neuropeptides capa receptor	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Brugia malayi	Cytochrome P450 family protein	0.0074	0.0253	0.2336
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0047	0.014	0.2774
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0031	0.0068	0.0629
Schistosoma mansoni	neuropeptide receptor	0.0047	0.014	0.2444
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0047	0.014	0.2774
Brugia malayi	nuclear receptor RXR	0.0016	0.0007	0.0067
Echinococcus granulosus	g-protein coupled receptor	0.0047	0.014	0.2444
Brugia malayi	Dopamine receptor	0.0047	0.014	0.1288
Brugia malayi	hypothetical protein	0.0047	0.014	0.1288
Schistosoma mansoni	amine GPCR	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0101	0.0931
Echinococcus multilocularis	G protein coupled receptor 139	0.0047	0.014	0.2774
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0047	0.014	0.2444
Echinococcus multilocularis	neuropeptide s receptor	0.0047	0.014	0.2774
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.014	0.2774
Schistosoma mansoni	coup transcription factor	0.0031	0.0068	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus granulosus	rhodopsin orphan GPCR	0.0047	0.014	0.2444
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0031	0.0068	0.1193
Brugia malayi	ecdysteroid receptor	0.0031	0.0068	0.0629
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.0068	0.1193
Mycobacterium ulcerans	bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase	0.2377	1	1
Brugia malayi	GnHR receptor homolog	0.0047	0.014	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus granulosus	neuropeptide Y receptor	0.0047	0.014	0.2444
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	0.2377	1	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0047	0.014	0.2444
Brugia malayi	hypothetical protein	0.0047	0.014	0.1288
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0047	0.014	0.2444
Brugia malayi	hypothetical protein	0.0047	0.014	0.1288
Echinococcus multilocularis	ecdysone induced protein 78C	0.0031	0.0068	0.1354
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0031	0.0068	0.1193
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0047	0.014	0.1288
Echinococcus granulosus	G protein coupled receptor 139	0.0047	0.014	0.2444
Echinococcus granulosus	neuropeptide FF receptor 2	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus multilocularis	fmrfamide receptor	0.0047	0.014	0.2774
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.014	0.2774
Schistosoma mansoni	myosin xvIII	0.0047	0.014	0.2444
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0047	0.014	0.2774
Onchocerca volvulus		0.0031	0.0068	0.0591
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0047	0.014	0.1288
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0047	0.014	0.1288
Onchocerca volvulus		0.0047	0.014	0.1212
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0068	0.0629
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0047	0.014	0.1288
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0068	0.0629
Echinococcus granulosus	sex peptide receptor	0.0047	0.014	0.2444
Brugia malayi	Dopamine receptor protein 2	0.0047	0.014	0.1288
Loa Loa (eye worm)	melatonin receptor type 1A	0.0047	0.014	0.1288
Echinococcus granulosus	7TM GPCR rhodopsin	0.0047	0.014	0.2444
Onchocerca volvulus		0.0047	0.014	0.1212
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0031	0.0068	0.0629
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.014	0.2444
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0047	0.014	0.1288
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Onchocerca volvulus	Protein ultraspiracle homolog	0.0031	0.0068	0.0591
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0047	0.014	0.2444
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.014	0.2774
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0133	0.0504	1
Schistosoma mansoni	amine GPCR	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0047	0.014	0.2444
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0047	0.014	0.1288
Echinococcus multilocularis	g protein coupled receptor	0.0047	0.014	0.2774
Echinococcus granulosus	rhodopsin orphan GPCR	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.014	0.2444
Echinococcus granulosus	biogenic amine 5HT receptor	0.0047	0.014	0.2444
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0031	0.0068	0.1193
Echinococcus granulosus	fmrfamide receptor	0.0047	0.014	0.2444
Echinococcus granulosus	g protein coupled receptor	0.0047	0.014	0.2444
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0047	0.014	0.2774
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1024	0.9439
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0031	0.0068	0.1193
Brugia malayi	ORL1-like opioid receptor	0.0047	0.014	0.1288
Echinococcus multilocularis	g protein coupled receptor	0.0047	0.014	0.2774
Schistosoma mansoni	voltage-gated potassium channel	0.0048	0.0143	0.2496
Echinococcus granulosus	dro:myosuppressin receptor	0.0047	0.014	0.2444
Echinococcus multilocularis	allatostatin A receptor	0.0047	0.014	0.2774
Onchocerca volvulus	Bile acid receptor homolog	0.0031	0.0068	0.0591
Echinococcus multilocularis	dro:myosuppressin receptor	0.0047	0.014	0.2774
Echinococcus granulosus	neuropeptide s receptor	0.0047	0.014	0.2444
Onchocerca volvulus		0.0047	0.014	0.1212
Brugia malayi	neuropeptide F receptor	0.0047	0.014	0.1288
Schistosoma mansoni	amine GPCR	0.0047	0.014	0.2444
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.015	0.0572	1
Echinococcus granulosus	g protein coupled receptor	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0068	0.0629
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0047	0.014	0.2444
Schistosoma mansoni	biogenic amine receptor	0.0047	0.014	0.2444
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0031	0.0068	0.1354
Echinococcus granulosus	rhodopsin orphan GPCR	0.0047	0.014	0.2444
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0047	0.014	0.2444
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0047	0.014	0.2774
Echinococcus granulosus	FTZ F1 alpha	0.0031	0.0068	0.1193
Brugia malayi	nuclear receptor NHR-88	0.0031	0.0068	0.0629
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0031	0.0068	0.1193
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.0068	0.1354
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0047	0.014	0.2774
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Brugia malayi	nuclear hormone receptor	0.0271	0.1085	1
Brugia malayi	G-protein coupled receptor	0.0047	0.014	0.1288
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.014	0.2444
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0271	0.1085	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus granulosus	allatostatin A receptor	0.0047	0.014	0.2444
Echinococcus multilocularis	g protein coupled receptor	0.0047	0.014	0.2774
Echinococcus granulosus	biogenic amine 5HT receptor	0.0047	0.014	0.2444
Echinococcus granulosus	rhodopsin orphan GPCR	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0047	0.014	0.2444
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.0068	0.1354
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0031	0.0068	0.1354
Onchocerca volvulus		0.0047	0.014	0.1212
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0031	0.0068	0.0629
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0016	0.0007	0.0145
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0287	0.1153	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0068	0.0629
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0047	0.014	0.2774
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus granulosus	neuropeptide receptor	0.0047	0.014	0.2444
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0031	0.0068	0.0629
Brugia malayi	sulfakinin receptor protein	0.0047	0.014	0.1288
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0031	0.0068	0.1193
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.014	0.2774
Loa Loa (eye worm)	steroid hormone receptor	0.0031	0.0068	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.014	0.2774
Echinococcus granulosus	rhodopsin orphan GPCR	0.0047	0.014	0.2444
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0047	0.014	0.2444
Echinococcus granulosus	rhodopsin orphan GPCR	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus granulosus	rhodopsin orphan GPCR	0.0047	0.014	0.2444
Brugia malayi	hypothetical protein	0.0047	0.014	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0047	0.014	0.2444
Brugia malayi	hypothetical protein	0.0047	0.014	0.1288
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0047	0.014	0.2444
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.014	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0047	0.014	0.1288
Echinococcus granulosus	tm gpcr rhodopsin	0.0047	0.014	0.2444
Brugia malayi	photoreceptor-specific nuclear receptor	0.0031	0.0068	0.0629

Activities

Activity type	Activity value	Assay description	Source	Reference
(functional)		Inhibition of Retinoic acid receptor RXR-alpha antagonist activity in vitro; Not applicable	ChEMBL.	12801232
EC50 (functional)	= 2 nM	Inhibition of Retinoic acid receptor RXR-alpha agonist activity in vitro	ChEMBL.	12801232
EC50 (functional)	= 2 nM	Inhibition of Retinoic acid receptor RXR-alpha agonist activity in vitro	ChEMBL.	12801232
EC50 (functional)	= 8 nM	Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro	ChEMBL.	12801232
EC50 (functional)	= 8 nM	Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro	ChEMBL.	12801232
Efficacy (functional)	= 0	Antagonistic efficacy against Retinoic acid receptor RXR-alpha was determined in vitro	ChEMBL.	12801232
Efficacy (functional)	= 83	Agonistic efficacy against Retinoic acid receptor RXR-alpha was determined in vitro	ChEMBL.	12801232
Efficacy (functional)	= 324	Synergistic efficacy against RXR:PPAR-gamma heterodimer was determined in vitro	ChEMBL.	12801232
Efficacy (functional)	= 0	Antagonistic efficacy against Retinoic acid receptor RXR-alpha was determined in vitro	ChEMBL.	12801232
Efficacy (functional)	= 83	Agonistic efficacy against Retinoic acid receptor RXR-alpha was determined in vitro	ChEMBL.	12801232
Efficacy (functional)	= 324	Synergistic efficacy against RXR:PPAR-gamma heterodimer was determined in vitro	ChEMBL.	12801232
Ki (binding)	= 1 nM	Binding affinity against Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand	ChEMBL.	12801232
Ki (binding)	= 1 nM	Binding affinity against Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand	ChEMBL.	12801232
Ki (binding)	= 10000 nM	Binding affinity against Retinoic acid receptor gamma was determined in vitro by using [3H]-ATRA as radioligand	ChEMBL.	12801232
Ki (binding)	= 10000 nM	Binding affinity against Retinoic acid receptor gamma was determined in vitro by using [3H]-ATRA as radioligand	ChEMBL.	12801232
NA (functional)	0	Inhibition of Retinoic acid receptor RXR-alpha antagonist activity in vitro; Not applicable	ChEMBL.	12801232
Synergy (binding)	= 10 fold	RXR:RAR synergy expressed as fold induction	ChEMBL.	12801232

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: CHEMBL90824
PubChem: 10936808

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 148965