Detailed information for compound 148965

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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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 peroxisome proliferator-activated receptor gamma References
Homo sapiens retinoid X receptor, alpha Starlite/ChEMBL 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
Loa Loa (eye worm) nuclear receptor nhr-7B Get druggable targets OG5_131607 All targets in OG5_131607
Schistosoma mansoni retinoic acid receptor RXR Get druggable targets OG5_130073 All targets in OG5_130073
Brugia malayi nuclear hormone receptor 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
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
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog Get druggable targets OG5_131607 All targets in OG5_131607
Loa Loa (eye worm) hypothetical protein 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

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 %

Obtained from network model

Ranking Plot


Putative Targets List


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

Bibliographic References

1 literature reference was collected for this gene.

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