Detailed information for compound 412303

Basic information

Technical information
  • TDR Targets ID: 412303
  • Name: (E)-3-[2-[(6-phenylmethoxynaphthalen-2-yl)met hyl]phenyl]prop-2-enoic acid
  • MW: 394.462 | Formula: C27H22O3
  • H donors: 1 H acceptors: 2 LogP: 6.51 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)/C=C/c1ccccc1Cc1ccc2c(c1)ccc(c2)OCc1ccccc1
  • InChi: 1S/C27H22O3/c28-27(29)15-13-22-8-4-5-9-23(22)16-21-10-11-25-18-26(14-12-24(25)17-21)30-19-20-6-2-1-3-7-20/h1-15,17-18H,16,19H2,(H,28,29)/b15-13+
  • InChiKey: PVEDRJQMQCUOOM-FYWRMAATSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-[2-[(6-benzyloxy-2-naphthyl)methyl]phenyl]prop-2-enoic acid
  • (E)-3-[2-[(6-benzyloxy-2-naphthyl)methyl]phenyl]-2-propenoic acid
  • (E)-3-[2-[(6-benzoxy-2-naphthyl)methyl]phenyl]acrylic acid
  • (E)-3-[2-[[6-(phenylmethoxy)naphthalen-2-yl]methyl]phenyl]prop-2-enoic acid
  • (E)-3-[2-[[6-(phenylmethoxy)-2-naphthyl]methyl]phenyl]prop-2-enoic acid
  • (E)-3-[2-[[6-(benzyloxy)-2-naphthyl]methyl]phenyl]acrylic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens prostaglandin E receptor 4 (subtype EP4) Starlite/ChEMBL References
Homo sapiens prostaglandin I2 (prostacyclin) receptor (IP) Starlite/ChEMBL References
Homo sapiens prostaglandin D2 receptor (DP) Starlite/ChEMBL References
Homo sapiens prostaglandin E receptor 3 (subtype EP3) Starlite/ChEMBL References
Homo sapiens thromboxane A2 receptor Starlite/ChEMBL References
Homo sapiens prostaglandin F receptor (FP) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis rhodopsin orphan GPCR prostaglandin D2 receptor (DP) 359 aa 312 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0023 0.0425 0.0425
Brugia malayi hypothetical protein 0.0017 0.0265 0.0632
Loa Loa (eye worm) hypothetical protein 0.0048 0.1063 0.288
Schistosoma mansoni cpg binding protein 0.0029 0.0578 0.0578
Echinococcus multilocularis fmrfamide receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0017 0.0265 0.0265
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0265 0.0265
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0265 0.0265
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Plasmodium falciparum T-complex protein 1 subunit beta 0.0023 0.0425 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0017 0.0265 0.0265
Brugia malayi RE15519p 0.0017 0.0265 0.0632
Onchocerca volvulus 0.0146 0.3582 1
Echinococcus granulosus tm gpcr rhodopsin 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Schistosoma mansoni lamin 0.0026 0.0493 0.0493
Brugia malayi hypothetical protein 0.0017 0.0265 0.0632
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Brugia malayi hypothetical protein 0.0146 0.3582 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus granulosus serotonin receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis cpg binding protein 0.0029 0.0578 0.0578
Echinococcus granulosus tachykinin peptides receptor 99D 0.0017 0.0265 0.0265
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1063 0.2886
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0017 0.0265 0.0265
Echinococcus granulosus sex peptide receptor 0.0017 0.0265 0.0265
Echinococcus granulosus dro:myosuppressin receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0017 0.0265 0.0624
Echinococcus multilocularis neuropeptide Y receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0017 0.0265 0.0265
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0017 0.0265 0.0265
Schistosoma mansoni amine GPCR 0.0017 0.0265 0.0265
Schistosoma mansoni amine GPCR 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0017 0.0265 0.0265
Echinococcus granulosus g protein coupled receptor 0.0017 0.0265 0.0265
Schistosoma mansoni hypothetical protein 0.0123 0.2984 0.2984
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0017 0.0265 0.0265
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Echinococcus multilocularis dro:myosuppressin receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis neuropeptides capa receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Brugia malayi hypothetical protein 0.0017 0.0265 0.0632
Brugia malayi hypothetical protein 0.0017 0.0265 0.0632
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0265 0.0265
Brugia malayi G protein-coupled receptor 0.0017 0.0265 0.0632
Schistosoma mansoni hypothetical protein 0.0017 0.0265 0.0265
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0023 0.0425 0.0425
Echinococcus granulosus neuropeptides capa receptor 0.0017 0.0265 0.0265
Schistosoma mansoni hypothetical protein 0.0396 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0017 0.0265 0.0265
Echinococcus granulosus tm gpcr rhodopsin 0.0017 0.0265 0.0265
Loa Loa (eye worm) neuropeptide F receptor 0.0017 0.0265 0.0624
Schistosoma mansoni adenoreceptor 0.0017 0.0265 0.0265
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1063 0.2886
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0017 0.0265 0.0632
Schistosoma mansoni biogenic amine receptor 0.0017 0.0265 0.0265
Onchocerca volvulus 0.0028 0.0537 0.0821
Echinococcus granulosus rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0146 0.0146
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0017 0.0265 0.0624
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Brugia malayi Dopamine receptor 0.0017 0.0265 0.0632
Echinococcus granulosus G protein coupled receptor 139 0.0017 0.0265 0.0265
Schistosoma mansoni opsin-like receptor 0.0017 0.0265 0.0265
Echinococcus granulosus rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0493 0.1271
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0017 0.0265 0.0624
Brugia malayi putative neuropeptide receptor NPR1 0.0017 0.0265 0.0632
Echinococcus granulosus intermediate filament protein 0.0026 0.0493 0.0493
Echinococcus multilocularis neuropeptide Y receptor 0.0017 0.0265 0.0265
Brugia malayi neuropeptide F receptor 0.0017 0.0265 0.0632
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1399 0.1399
Echinococcus granulosus neuropeptide Y receptor 0.0017 0.0265 0.0265
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0123 0.2984 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0017 0.0265 0.0265
Echinococcus granulosus lamin 0.0026 0.0493 0.0493
Echinococcus multilocularis G-protein coupled receptor, putative 0.0017 0.0265 0.0265
Schistosoma mansoni growth hormone secretagogue receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis fmrfamide receptor 0.0017 0.0265 0.0265
Schistosoma mansoni cpg binding protein 0.0029 0.0578 0.0578
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus multilocularis g protein coupled receptor 0.0017 0.0265 0.0265
Echinococcus granulosus 7tm_1 domain containing protein 0.0017 0.0265 0.0265
Echinococcus multilocularis g protein coupled receptor 0.0017 0.0265 0.0265
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0017 0.0265 0.0265
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0017 0.0265 0.0265
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0017 0.0265 0.0265
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0017 0.0265 0.0265
Brugia malayi AKH receptor 0.0017 0.0265 0.0632
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.067 0.1778
Loa Loa (eye worm) T-complex protein 1 0.0023 0.0425 0.1077
Echinococcus multilocularis serotonin receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus granulosus hypothetical protein 0.0017 0.0265 0.0265
Echinococcus multilocularis neuropeptide receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis GPCR, family 2 0.0015 0.0215 0.0215
Echinococcus granulosus peptide allatostatin:somatostatin 0.0017 0.0265 0.0265
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0017 0.0265 0.0265
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0265 0.0265
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Brugia malayi GnHR receptor homolog 0.0017 0.0265 0.0632
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0265 0.0265
Brugia malayi Tachykinin-like peptides receptor 99D 0.0017 0.0265 0.0632
Echinococcus multilocularis sex peptide receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis neuropeptide receptor 0.0017 0.0265 0.0265
Echinococcus granulosus biogenic amine 5HT receptor 0.0017 0.0265 0.0265
Schistosoma mansoni amine GPCR 0.0017 0.0265 0.0265
Brugia malayi larval opioid receptor 0.0017 0.0265 0.0632
Schistosoma mansoni intermediate filament proteins 0.0026 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus multilocularis neuropeptide FF receptor 2 0.0017 0.0265 0.0265
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0265 0.0265
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0265 0.0265
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0017 0.0265 0.0265
Echinococcus granulosus rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0215 0.0215
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.1338 0.1338
Schistosoma mansoni biogenic amine (5HT) receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis lamin dm0 0.0026 0.0493 0.0493
Brugia malayi ORL1-like opioid receptor 0.0017 0.0265 0.0632
Echinococcus granulosus rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Echinococcus granulosus neuropeptides capa receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0017 0.0265 0.0265
Schistosoma mansoni cpg binding protein 0.0028 0.0537 0.0537
Schistosoma mansoni neuropeptide receptor 0.0017 0.0265 0.0265
Schistosoma mansoni lamin 0.0026 0.0493 0.0493
Schistosoma mansoni hypothetical protein 0.0015 0.0215 0.0215
Echinococcus granulosus cpg binding protein 0.0029 0.0578 0.0578
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0017 0.0265 0.0624
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0017 0.0265 0.0632
Brugia malayi G protein-coupled receptor F59B2.13 0.0017 0.0265 0.0632
Loa Loa (eye worm) hypothetical protein 0.0015 0.0215 0.0484
Echinococcus granulosus g protein coupled receptor 0.0017 0.0265 0.0265
Brugia malayi hypothetical protein 0.0017 0.0265 0.0632
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.1176 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0123 0.2984 1
Schistosoma mansoni hypothetical protein 0.0015 0.0215 0.0215
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0017 0.0265 0.0265
Brugia malayi Serotonin receptor 0.0017 0.0265 0.0632
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0017 0.0265 0.0265
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0215 0.0215
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus multilocularis dnaJ subfamily B 0.0396 1 1
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0023 0.0425 0.0425
Brugia malayi T-complex protein 1, beta subunit 0.0023 0.0425 0.1084
Echinococcus granulosus neuropeptide receptor 0.0017 0.0265 0.0265
Schistosoma mansoni histamine h1 receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0017 0.0265 0.0265
Echinococcus granulosus allatostatin A receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0215 0.0215
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0123 0.2984 1
Schistosoma mansoni neuropeptide receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Brugia malayi hypothetical protein 0.0017 0.0265 0.0632
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Brugia malayi intermediate filament protein 0.0026 0.0493 0.1278
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0123 0.2984 0.2984
Echinococcus granulosus neuropeptide receptor A26 0.0017 0.0265 0.0265
Echinococcus granulosus GPCR family 2 0.0015 0.0215 0.0215
Echinococcus multilocularis orexin receptor type 2 0.0017 0.0265 0.0265
Schistosoma mansoni amine GPCR 0.0017 0.0265 0.0265
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0215 0.0492
Brugia malayi Dopamine receptor protein 1 0.0017 0.0265 0.0632
Loa Loa (eye worm) hypothetical protein 0.0013 0.0146 0.029
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0012 0.0134 0.0256
Loa Loa (eye worm) hypothetical protein 0.0033 0.067 0.1771
Schistosoma mansoni myosin xvIII 0.0017 0.0265 0.0265
Brugia malayi hypothetical protein 0.0017 0.0265 0.0632
Echinococcus granulosus neuropeptide receptor 0.0017 0.0265 0.0265
Schistosoma mansoni neuropeptide receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis neuropeptides capa receptor 0.0017 0.0265 0.0265
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1399 0.1399
Loa Loa (eye worm) hypothetical protein 0.0146 0.3582 1
Loa Loa (eye worm) neuropeptide F receptor 0.0017 0.0265 0.0624
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Brugia malayi G-protein coupled receptor 0.0017 0.0265 0.0632
Loa Loa (eye worm) RNA binding protein 0.0061 0.1399 0.3829
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.2984 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0215 0.0492
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1399 0.1399
Loa Loa (eye worm) hypothetical protein 0.0026 0.0481 0.1237
Loa Loa (eye worm) hypothetical protein 0.0026 0.0493 0.1271
Onchocerca volvulus 0.0026 0.0493 0.069
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0044 0.0044
Echinococcus granulosus biogenic amine 5HT receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Brugia malayi hypothetical protein 0.0017 0.0265 0.0632
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus granulosus orexin receptor type 2 0.0017 0.0265 0.0265
Loa Loa (eye worm) TAR-binding protein 0.0061 0.1399 0.3829
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus granulosus tar DNA binding protein 0.0061 0.1399 0.1399
Entamoeba histolytica hypothetical protein, conserved 0.0123 0.2984 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0017 0.0265 0.0265
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0017 0.0265 0.0632
Brugia malayi TAR-binding protein 0.0061 0.1399 0.3834
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Schistosoma mansoni biogenic amine (5HT) receptor 0.0017 0.0265 0.0265
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0023 0.0425 0.0425
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0493 0.1278
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0012 0.0134 0.0256
Loa Loa (eye worm) G-protein coupled receptor 0.0017 0.0265 0.0624
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0537 0.1395
Echinococcus granulosus lamin dm0 0.0026 0.0493 0.0493
Entamoeba histolytica DNA repair and recombination protein, putative 0.0123 0.2984 1
Schistosoma mansoni opsin-like receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis serotonin receptor 0.0017 0.0265 0.0265
Brugia malayi Serotonin receptor 0.0017 0.0265 0.0632
Brugia malayi G-protein coupled receptor 0.0017 0.0265 0.0632
Echinococcus granulosus fmrfamide receptor 0.0017 0.0265 0.0265
Echinococcus granulosus g protein coupled receptor 0.0017 0.0265 0.0265
Schistosoma mansoni neuropeptide F-like receptor 0.0017 0.0265 0.0265
Brugia malayi CXXC zinc finger family protein 0.0028 0.0537 0.1401
Brugia malayi RNA binding protein 0.0061 0.1399 0.3834
Brugia malayi Dopamine receptor protein 2 0.0017 0.0265 0.0632
Loa Loa (eye worm) G-protein coupled receptor 0.0017 0.0265 0.0624
Echinococcus multilocularis tar DNA binding protein 0.0061 0.1399 0.1399
Echinococcus granulosus 7TM GPCR rhodopsin 0.0017 0.0265 0.0265
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0017 0.0265 0.0265
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0017 0.0265 0.0265
Brugia malayi neuropeptide F receptor 0.0017 0.0265 0.0632
Schistosoma mansoni hypothetical protein 0.0015 0.0215 0.0215
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0017 0.0265 0.0632
Brugia malayi T-complex protein 1, beta subunit 0.0023 0.0425 0.1084
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus multilocularis lamin 0.0026 0.0493 0.0493
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0017 0.0265 0.0265
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Brugia malayi hypothetical protein 0.0017 0.0265 0.0632
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0146 0.0146
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1063 0.288
Brugia malayi putative neuropeptide receptor 0.0017 0.0265 0.0632
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0017 0.0265 0.0632
Brugia malayi sulfakinin receptor protein 0.0017 0.0265 0.0632
Schistosoma mansoni hypothetical protein 0.0015 0.0215 0.0215
Schistosoma mansoni alpha-1 adrenergic receptor 0.0017 0.0265 0.0265
Echinococcus granulosus somatostatin receptor 0.0017 0.0265 0.0265
Echinococcus granulosus neuropeptide Y receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.1399 0.3829
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1399 0.1399
Echinococcus granulosus rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Echinococcus multilocularis allatostatin A receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis G protein coupled receptor 139 0.0017 0.0265 0.0265
Echinococcus multilocularis musashi 0.0026 0.0493 0.0493
Schistosoma mansoni hypothetical protein 0.0033 0.067 0.067
Loa Loa (eye worm) melatonin receptor type 1A 0.0017 0.0265 0.0624
Echinococcus multilocularis neuropeptide s receptor 0.0017 0.0265 0.0265
Echinococcus granulosus tm gpcr rhodopsin 0.0017 0.0265 0.0265
Schistosoma mansoni neuropeptide f receptor 76f 0.0017 0.0265 0.0265
Giardia lamblia Rrm3p helicase 0.0123 0.2984 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0493 0.1271
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0123 0.2984 1
Echinococcus multilocularis neuropeptide receptor A26 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus granulosus neuropeptide FF receptor 2 0.0017 0.0265 0.0265
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0023 0.0425 0.5
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0123 0.2984 0.2984
Brugia malayi Melatonin receptor type 1A 0.0017 0.0265 0.0632
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0123 0.2984 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Schistosoma mansoni hypothetical protein 0.0017 0.0265 0.0265
Schistosoma mansoni neuropeptide F-like receptor 0.0017 0.0265 0.0265
Echinococcus multilocularis somatostatin receptor 0.0017 0.0265 0.0265
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0017 0.0265 0.0624
Schistosoma mansoni amine GPCR 0.0017 0.0265 0.0265
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Loa Loa (eye worm) TYRA-2 protein 0.0017 0.0265 0.0624
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Brugia malayi follicle stimulating hormone receptor 0.0017 0.0265 0.0632
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0215 0.0484
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Echinococcus granulosus g-protein coupled receptor 0.0017 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0265 0.0265
Schistosoma mansoni hypothetical protein 0.0017 0.0265 0.0265
Schistosoma mansoni biogenic amine receptor 0.0017 0.0265 0.0265
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0182 0.0399
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Brugia malayi hypothetical protein 0.0017 0.0265 0.0632
Echinococcus multilocularis g protein coupled receptor 0.0017 0.0265 0.0265
Echinococcus granulosus rhodopsin orphan GPCR 0.0017 0.0265 0.0265
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0123 0.2984 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0215 0.0215
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0017 0.0265 0.0265
Onchocerca volvulus 0.0026 0.0493 0.069
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Schistosoma mansoni neuropeptide receptor 0.0017 0.0265 0.0265
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0123 0.2984 1
Schistosoma mansoni biogenic amine receptor 0.0017 0.0265 0.0265
Schistosoma mansoni hypothetical protein 0.0017 0.0265 0.0265
Echinococcus granulosus neuropeptide s receptor 0.0017 0.0265 0.0265
Schistosoma mansoni opsin-like receptor 0.0017 0.0265 0.0265
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1399 0.1399
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0182 0.0391
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0023 0.0425 0.0425
Loa Loa (eye worm) hypothetical protein 0.0017 0.0265 0.0624
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.1399 0.3834

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 11 uM Concentration in carrageenan-induced hyperalgesic rat at 5 mg/kg, po, 1 hr postdose ChEMBL. 16931013
CL (ADMET) = 3.1 ml/min Clearance in Sprague-Dawley rat at 10 mg/kg, po and 5 mg/kg, iv ChEMBL. 16931013
Cmax (ADMET) = 28 uM Cmax in Sprague-Dawley rat at 10 mg/kg, po and 5 mg/kg, iv after 30 mins ChEMBL. 16931013
ED50 (functional) = 4.6 mg kg-1 Effect on carrageenan-induced paw hyperalgesia in po dosed rat ChEMBL. 16931013
ED50 (functional) > 10 mg kg-1 Antiinflammatory activity against carrageenan-induced paw edema in po dosed rat ChEMBL. 16931013
F (ADMET) = 59 % Bioavailability in Sprague-Dawley rat at 10 mg/kg, po and 5 mg/kg, iv ChEMBL. 16931013
Ki (binding) = 0.0032 uM Binding affinity to EP3 receptor ChEMBL. 16931013
Ki (binding) = 0.046 uM Binding affinity to EP3 receptor in presence of HSA ChEMBL. 16931013
Ki (binding) = 0.082 uM Binding affinity to DP receptor ChEMBL. 16931013
Ki (binding) > 0.5 uM Binding affinity to IP receptor ChEMBL. 16931013
Ki (binding) > 0.5 uM Binding affinity to TP receptor ChEMBL. 16931013
Ki (binding) > 0.5 uM Binding affinity to FP receptor ChEMBL. 16931013
Ki (binding) > 0.5 uM Binding affinity to IP receptor ChEMBL. 16931013
Ki (binding) > 0.5 uM Binding affinity to TP receptor ChEMBL. 16931013
Ki (binding) > 0.5 uM Binding affinity to FP receptor ChEMBL. 16931013
Ki (binding) > 15 uM Binding affinity to EP4 receptor ChEMBL. 16931013
Ki (binding) > 15 uM Binding affinity to EP4 receptor ChEMBL. 16931013
Ki (binding) > 40 uM Binding affinity to EP2 receptor ChEMBL. 16931013
Ki (binding) > 40 uM Binding affinity to EP2 receptor ChEMBL. 16931013
Ki (binding) > 100 uM Binding affinity to EP1 receptor ChEMBL. 16931013
Ki (binding) > 100 uM Binding affinity to EP1 receptor ChEMBL. 16931013
t1/2 (ADMET) = 3 hr Half life in Sprague-Dawley rat at 10 mg/kg, po and 5 mg/kg, iv ChEMBL. 16931013

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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