Detailed information for compound 373829

Basic information

Technical information
  • TDR Targets ID: 373829
  • Name: 4-[[4-[3-benzoyl-8-(trifluoromethyl)quinolin- 4-yl]phenoxy]methyl]benzoic acid
  • MW: 527.49 | Formula: C31H20F3NO4
  • H donors: 1 H acceptors: 4 LogP: 7.03 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1cnc2c(c1c1ccc(cc1)OCc1ccc(cc1)C(=O)O)cccc2C(F)(F)F)c1ccccc1
  • InChi: 1S/C31H20F3NO4/c32-31(33,34)26-8-4-7-24-27(25(17-35-28(24)26)29(36)21-5-2-1-3-6-21)20-13-15-23(16-14-20)39-18-19-9-11-22(12-10-19)30(37)38/h1-17H,18H2,(H,37,38)
  • InChiKey: PNGPMNXTYUTTTK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[4-[3-benzoyl-8-(trifluoromethyl)-4-quinolyl]phenoxy]methyl]benzoic acid
  • 4-[[4-[3-(phenylcarbonyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]benzoic acid
  • 4-[[4-[3-(benzoyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]benzoic acid
  • 4-[[4-[3-(benzoyl)-8-(trifluoromethyl)-4-quinolyl]phenoxy]methyl]benzoic acid
  • 4-[[4-[3-(oxo-phenylmethyl)-8-(trifluoromethyl)-4-quinolyl]phenoxy]methyl]benzoic acid
  • 4-[[4-[3-phenylcarbonyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor subfamily 1, group H, member 3 Starlite/ChEMBL References
Homo sapiens nuclear receptor subfamily 1, group H, member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_134445 All targets in OG5_134445
Brugia malayi ecdysteroid receptor Get druggable targets OG5_134445 All targets in OG5_134445
Onchocerca volvulus Bile acid receptor homolog Get druggable targets OG5_134445 All targets in OG5_134445
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor nuclear receptor subfamily 1, group H, member 3 387 aa 321 aa 28.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.008 0.2943 0.3364
Echinococcus granulosus tm gpcr rhodopsin 0.008 0.2943 0.4238
Echinococcus granulosus neuropeptide Y receptor 0.008 0.2943 0.4238
Echinococcus granulosus geminin 0.0168 0.6943 1
Schistosoma mansoni amine GPCR 0.008 0.2943 0.4238
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0264 0.038
Schistosoma mansoni biogenic amine (dopamine) receptor 0.008 0.2943 0.4238
Echinococcus granulosus neuropeptide receptor 0.008 0.2943 0.4238
Echinococcus multilocularis neuropeptide receptor 0.008 0.2943 0.4238
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0264 0.0302
Brugia malayi sulfakinin receptor protein 0.008 0.2943 0.3364
Echinococcus granulosus dro:myosuppressin receptor 0.008 0.2943 0.4238
Brugia malayi hypothetical protein 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.0022 0.0264 0.0302
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Onchocerca volvulus 0.008 0.2943 0.2751
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.008 0.2943 0.4238
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0264 0.038
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.1662 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.008 0.2943 0.3364
Brugia malayi steroid hormone receptor 0.0022 0.0264 0.0302
Brugia malayi hypothetical protein 0.008 0.2943 0.3364
Schistosoma mansoni biogenic amine receptor 0.008 0.2943 0.4238
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.008 0.2943 0.4238
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1662 0.1546
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.008 0.2943 0.4238
Echinococcus granulosus dna polymerase kappa 0.0019 0.0137 0.0197
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0137 0.0197
Echinococcus multilocularis serotonin receptor 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.008 0.2943 0.4238
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Brugia malayi hypothetical protein 0.008 0.2943 0.3364
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0264 0.0302
Echinococcus multilocularis fmrfamide receptor 0.008 0.2943 0.4238
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.1662 1
Echinococcus granulosus allatostatin A receptor 0.008 0.2943 0.4238
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.2943 0.4238
Echinococcus granulosus tm gpcr rhodopsin 0.008 0.2943 0.4238
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.1662 0.2393
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Echinococcus multilocularis geminin 0.0168 0.6943 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0264 0.0302
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.008 0.2943 0.4238
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.008 0.2943 0.4238
Brugia malayi hypothetical protein 0.008 0.2943 0.3364
Echinococcus granulosus 7tm_1 domain containing protein 0.008 0.2943 0.4238
Schistosoma mansoni DNA polymerase eta 0.0019 0.0137 0.0197
Schistosoma mansoni amine GPCR 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Loa Loa (eye worm) G-protein coupled receptor 0.008 0.2943 0.3364
Brugia malayi GnHR receptor homolog 0.008 0.2943 0.3364
Plasmodium vivax SET domain protein, putative 0.003 0.0615 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.2943 0.4238
Echinococcus granulosus g-protein coupled receptor 0.008 0.2943 0.4238
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.1662 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.008 0.2943 0.4238
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0137 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.2943 0.4238
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0264 0.0302
Echinococcus granulosus fmrfamide receptor 0.008 0.2943 0.4238
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.2943 0.4238
Echinococcus granulosus hypothetical protein 0.008 0.2943 0.4238
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0137 0.0197
Echinococcus multilocularis allatostatin A receptor 0.008 0.2943 0.4238
Schistosoma mansoni biogenic amine (5HT) receptor 0.008 0.2943 0.4238
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0264 0.0302
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0264 0.038
Echinococcus granulosus biogenic amine 5HT receptor 0.008 0.2943 0.4238
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0264 0.038
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.1662 1
Echinococcus granulosus neuropeptides capa receptor 0.008 0.2943 0.4238
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0137 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0264 0.038
Echinococcus multilocularis neuropeptide Y receptor 0.008 0.2943 0.4238
Brugia malayi G-protein coupled receptor 0.008 0.2943 0.3364
Brugia malayi ecdysteroid receptor 0.0207 0.8746 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.008 0.2943 0.4238
Echinococcus granulosus rhodopsin orphan GPCR 0.008 0.2943 0.4238
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0137 0.0197
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Echinococcus granulosus somatostatin receptor 0.008 0.2943 0.4238
Echinococcus multilocularis g-protein coupled receptor 0.008 0.2943 0.4238
Schistosoma mansoni histamine h1 receptor 0.008 0.2943 0.4238
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.0022 0.0264 0.0302
Loa Loa (eye worm) neuropeptide F receptor 0.008 0.2943 0.3364
Schistosoma mansoni growth hormone secretagogue receptor 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.0207 0.8746 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.008 0.2943 0.3364
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.2943 0.4238
Schistosoma mansoni neuropeptide receptor 0.008 0.2943 0.4238
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0137 0.0156
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.008 0.2943 0.4238
Schistosoma mansoni amine GPCR 0.008 0.2943 0.4238
Brugia malayi Serotonin receptor 0.008 0.2943 0.3364
Loa Loa (eye worm) TYRA-2 protein 0.008 0.2943 0.3364
Brugia malayi Pre-SET motif family protein 0.003 0.0615 0.0703
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.008 0.2943 0.4238
Echinococcus granulosus tm gpcr rhodopsin 0.008 0.2943 0.4238
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.1662 0.2393
Echinococcus granulosus neuropeptides capa receptor 0.008 0.2943 0.4238
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.008 0.2943 0.4238
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.1662 0.19
Echinococcus multilocularis fmrfamide receptor 0.008 0.2943 0.4238
Onchocerca volvulus 0.008 0.2943 0.2751
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0264 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0264 0.0302
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Brugia malayi G protein-coupled receptor 0.008 0.2943 0.3364
Onchocerca volvulus 0.008 0.2943 0.2751
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.2943 0.4238
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Echinococcus multilocularis neuropeptide s receptor 0.008 0.2943 0.4238
Brugia malayi MAP kinase sur-1 0.0052 0.1662 0.19
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0264 0.038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0264 0.0302
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.008 0.2943 0.4238
Echinococcus multilocularis g protein coupled receptor 0.008 0.2943 0.4238
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.008 0.2943 0.4238
Echinococcus granulosus sex peptide receptor 0.008 0.2943 0.4238
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0264 0.038
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.008 0.2943 0.4238
Echinococcus multilocularis tachykinin peptides receptor 99D 0.008 0.2943 0.4238
Onchocerca volvulus 0.008 0.2943 0.2751
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1662 0.1546
Schistosoma mansoni hypothetical protein 0.008 0.2943 0.4238
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0264 0.038
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Brugia malayi nuclear receptor NHR-88 0.0022 0.0264 0.0302
Echinococcus granulosus neuropeptide Y receptor 0.008 0.2943 0.4238
Brugia malayi AKH receptor 0.008 0.2943 0.3364
Echinococcus granulosus rhodopsin orphan GPCR 0.008 0.2943 0.4238
Brugia malayi Tachykinin-like peptides receptor 99D 0.008 0.2943 0.3364
Brugia malayi Pre-SET motif family protein 0.0206 0.8697 0.9943
Schistosoma mansoni biogenic amine receptor 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Brugia malayi Dopamine receptor protein 2 0.008 0.2943 0.3364
Echinococcus multilocularis somatostatin receptor 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.008 0.2943 0.4238
Echinococcus granulosus neuropeptide receptor A26 0.008 0.2943 0.4238
Schistosoma mansoni myosin xvIII 0.008 0.2943 0.4238
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0137 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0264 0.038
Echinococcus granulosus 7TM GPCR rhodopsin 0.008 0.2943 0.4238
Brugia malayi follicle stimulating hormone receptor 0.008 0.2943 0.3364
Trichomonas vaginalis set domain proteins, putative 0.0234 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.008 0.2943 0.2751
Schistosoma mansoni amine GPCR 0.008 0.2943 0.4238
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0264 0.038
Schistosoma mansoni biogenic amine (5HT) receptor 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0615 0.0886
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.008 0.2943 0.3364
Onchocerca volvulus 0.008 0.2943 0.2751
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0264 0.038
Schistosoma mansoni neuropeptide receptor 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.003 0.0615 0.0703
Schistosoma mansoni opsin-like receptor 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Echinococcus granulosus neuropeptide receptor 0.008 0.2943 0.4238
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.008 0.2943 0.3364
Trypanosoma brucei protein kinase, putative 0.0052 0.1662 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0264 0.0302
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Onchocerca volvulus 0.008 0.2943 0.2751
Onchocerca volvulus 0.008 0.2943 0.2751
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0615 0.0886
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Echinococcus granulosus alpha 1A adrenergic receptor 0.008 0.2943 0.4238
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0615 0.0886
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0137 0.0156
Echinococcus granulosus g protein coupled receptor 0.008 0.2943 0.4238
Schistosoma mansoni peptide (allatostatin)-like receptor 0.008 0.2943 0.4238
Onchocerca volvulus 0.008 0.2943 0.2751
Schistosoma mansoni biogenic amine (dopamine) receptor 0.008 0.2943 0.4238
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0264 0.0302
Onchocerca volvulus 0.008 0.2943 0.2751
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Schistosoma mansoni opsin-like receptor 0.008 0.2943 0.4238
Brugia malayi Dopamine receptor 0.008 0.2943 0.3364
Echinococcus granulosus rhodopsin orphan GPCR 0.008 0.2943 0.4238
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0264 0.0302
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Schistosoma mansoni neuropeptide receptor 0.008 0.2943 0.4238
Brugia malayi Serotonin receptor 0.008 0.2943 0.3364
Echinococcus granulosus rhodopsin orphan GPCR 0.008 0.2943 0.4238
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0264 0.038
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0264 0.038
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0615 0.0886
Onchocerca volvulus 0.008 0.2943 0.2751
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Onchocerca volvulus 0.008 0.2943 0.2751
Onchocerca volvulus 0.003 0.0615 0.0361
Brugia malayi Melatonin receptor type 1A 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Schistosoma mansoni hypothetical protein 0.008 0.2943 0.4238
Echinococcus multilocularis g protein coupled receptor 0.008 0.2943 0.4238
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.1662 0.2393
Echinococcus multilocularis g protein coupled receptor 0.008 0.2943 0.4238
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0264 0.0302
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0264 0.038
Brugia malayi G-protein coupled receptor 0.008 0.2943 0.3364
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0264 0.0302
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0137 0.0197
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0264 0.038
Brugia malayi gonadotropin-releasing hormone receptor 2 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0137 0.0156
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.2943 0.4238
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0264 0.0302
Echinococcus granulosus g protein coupled receptor 0.008 0.2943 0.4238
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0264 0.0302
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.008 0.2943 0.4238
Brugia malayi RE15519p 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0137 0.0197
Echinococcus granulosus neuropeptide FF receptor 2 0.008 0.2943 0.4238
Echinococcus granulosus rhodopsin orphan GPCR 0.008 0.2943 0.4238
Onchocerca volvulus Bile acid receptor homolog 0.0207 0.8746 0.8712
Brugia malayi Dopamine receptor protein 1 0.008 0.2943 0.3364
Echinococcus multilocularis orexin receptor type 2 0.008 0.2943 0.4238
Brugia malayi neuropeptide F receptor 0.008 0.2943 0.3364
Echinococcus granulosus dna polymerase eta 0.0019 0.0137 0.0197
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0264 0.0302
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.008 0.2943 0.4238
Schistosoma mansoni neuropeptide F-like receptor 0.008 0.2943 0.4238
Echinococcus granulosus biogenic amine 5HT receptor 0.008 0.2943 0.4238
Echinococcus granulosus rhodopsin orphan GPCR 0.008 0.2943 0.4238
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.1662 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.2943 0.4238
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.008 0.2943 0.4238
Onchocerca volvulus 0.008 0.2943 0.2751
Echinococcus multilocularis neuropeptide FF receptor 2 0.008 0.2943 0.4238
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0264 0.038
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.1662 0.2393
Brugia malayi ORL1-like opioid receptor 0.008 0.2943 0.3364
Echinococcus multilocularis G-protein coupled receptor, putative 0.008 0.2943 0.4238
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0137 0.5
Onchocerca volvulus 0.008 0.2943 0.2751
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0264 0.0302
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.008 0.2943 0.4238
Brugia malayi hypothetical protein 0.008 0.2943 0.3364
Loa Loa (eye worm) G-protein coupled receptor 0.008 0.2943 0.3364
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0615 0.0886
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0264 0.038
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.1662 1
Schistosoma mansoni biogenic amine receptor 0.008 0.2943 0.4238
Echinococcus multilocularis neuropeptides capa receptor 0.008 0.2943 0.4238
Echinococcus multilocularis biogenic amine (5HT) receptor 0.008 0.2943 0.4238
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0264 0.038
Echinococcus multilocularis sex peptide receptor 0.008 0.2943 0.4238
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0264 0.038
Schistosoma mansoni hypothetical protein 0.0168 0.6943 1
Brugia malayi nuclear hormone receptor 0.0022 0.0264 0.0302
Brugia malayi hypothetical protein 0.008 0.2943 0.3364
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1662 0.1546
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1662 0.1546
Schistosoma mansoni hypothetical protein 0.0168 0.6943 1
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Brugia malayi hypothetical protein 0.008 0.2943 0.3364
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0264 0.038
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0264 0.038
Echinococcus multilocularis neuropeptides capa receptor 0.008 0.2943 0.4238
Echinococcus granulosus thyrotropin releasing hormone receptor 0.008 0.2943 0.4238
Brugia malayi hypothetical protein 0.008 0.2943 0.3364
Echinococcus multilocularis dna polymerase eta 0.0019 0.0137 0.0197
Schistosoma mansoni neuropeptide receptor 0.008 0.2943 0.4238
Echinococcus multilocularis neuropeptide receptor A26 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.0022 0.0264 0.0302
Echinococcus granulosus peptide allatostatin:somatostatin 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Echinococcus multilocularis dro:myosuppressin receptor 0.008 0.2943 0.4238
Echinococcus granulosus neuropeptide s receptor 0.008 0.2943 0.4238
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0615 0.0886
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.2943 0.4238
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.1662 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.1662 1
Echinococcus granulosus serotonin receptor 0.008 0.2943 0.4238
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.2943 0.4238
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.2943 0.4238
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.008 0.2943 0.4238
Brugia malayi putative neuropeptide receptor 0.008 0.2943 0.3364
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.8697 0.9943
Loa Loa (eye worm) melatonin receptor type 1A 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Schistosoma mansoni hypothetical protein 0.008 0.2943 0.4238
Echinococcus multilocularis alpha 1A adrenergic receptor 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Brugia malayi Serotonin/octopamine receptor family protein 7 0.008 0.2943 0.3364
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0264 0.0302
Loa Loa (eye worm) hypothetical protein 0.0022 0.0264 0.0302
Schistosoma mansoni neuropeptide F-like receptor 0.008 0.2943 0.4238
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.008 0.2943 0.4238
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0264 0.038
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0264 0.038
Schistosoma mansoni biogenic amine (dopamine) receptor 0.008 0.2943 0.4238
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.1662 1
Schistosoma mansoni amine GPCR 0.008 0.2943 0.4238
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.008 0.2943 0.4238
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0264 0.0302
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.2943 0.4238
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0264 0.0302
Brugia malayi G protein-coupled receptor F59B2.13 0.008 0.2943 0.3364
Echinococcus granulosus orexin receptor type 2 0.008 0.2943 0.4238
Onchocerca volvulus Neuropeptide F receptor homolog 0.008 0.2943 0.2751
Schistosoma mansoni coup transcription factor 0.0022 0.0264 0.038
Echinococcus granulosus g protein coupled receptor 0.008 0.2943 0.4238
Schistosoma mansoni alpha-1 adrenergic receptor 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0264 0.0302
Schistosoma mansoni opsin-like receptor 0.008 0.2943 0.4238
Echinococcus multilocularis neuropeptide receptor 0.008 0.2943 0.4238
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0264 0.038
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0264 0.038
Onchocerca volvulus 0.008 0.2943 0.2751
Loa Loa (eye worm) neuropeptide F receptor 0.008 0.2943 0.3364
Brugia malayi larval opioid receptor 0.008 0.2943 0.3364
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0264 0.0302
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0264 0.038
Onchocerca volvulus 0.008 0.2943 0.2751
Echinococcus granulosus rhodopsin orphan GPCR 0.008 0.2943 0.4238
Brugia malayi hypothetical protein 0.008 0.2943 0.3364
Onchocerca volvulus 0.008 0.2943 0.2751
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0264 0.0302
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.1662 0.2393
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0264 0.038
Echinococcus multilocularis neuropeptide Y receptor 0.008 0.2943 0.4238
Brugia malayi putative neuropeptide receptor NPR1 0.008 0.2943 0.3364
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Brugia malayi neuropeptide F receptor 0.008 0.2943 0.3364
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0264 0.0302
Loa Loa (eye worm) follicle stimulating hormone receptor 0.008 0.2943 0.3364
Schistosoma mansoni adenoreceptor 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.0019 0.0137 0.0156
Loa Loa (eye worm) hypothetical protein 0.008 0.2943 0.3364
Echinococcus granulosus tachykinin peptides receptor 99D 0.008 0.2943 0.4238
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.008 0.2943 0.3364
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0264 0.038
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0137 0.5
Brugia malayi hypothetical protein 0.008 0.2943 0.3364
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0264 0.0302
Onchocerca volvulus 0.008 0.2943 0.2751
Echinococcus multilocularis G protein coupled receptor 139 0.008 0.2943 0.4238
Schistosoma mansoni neuropeptide f receptor 76f 0.008 0.2943 0.4238
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0264 0.0302
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0264 0.038
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0565 0.0814
Echinococcus granulosus G protein coupled receptor 139 0.008 0.2943 0.4238
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0264 0.038
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.2943 0.4238
Loa Loa (eye worm) hypothetical protein 0.0022 0.0264 0.0302
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0615 0.0886
Echinococcus multilocularis serotonin receptor 0.008 0.2943 0.4238
Schistosoma mansoni hypothetical protein 0.008 0.2943 0.4238

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1500 nM Agonist activity at human LXR beta receptor expressed in CHO cells by reporter assay ChEMBL. 17034119
EC50 (functional) = 1500 nM Agonist activity at human LXR beta receptor expressed in CHO cells by reporter assay ChEMBL. 17034119
Efficacy (functional) = 5 % Agonist activity at human LXR beta receptor expressed in CHO cells by reporter assay relative to TO901317 ChEMBL. 17034119
Efficacy (functional) = 5 % Agonist activity at human LXR beta receptor expressed in CHO cells by reporter assay relative to TO901317 ChEMBL. 17034119
IC50 (binding) = 723 nM Displacement of [3H]T0901317 from human LXR alpha receptor ChEMBL. 17034119
IC50 (binding) = 723 nM Displacement of [3H]T0901317 from human LXR alpha receptor ChEMBL. 17034119
IC50 (binding) = 2738 nM Displacement of [3H]T0901317 from human LXR beta receptor ChEMBL. 17034119
IC50 (binding) = 2738 nM Displacement of [3H]T0901317 from human LXR beta receptor ChEMBL. 17034119

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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