Detailed information for compound 324036

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 467.552 | Formula: C26H26FNO4S
  • H donors: 2 H acceptors: 2 LogP: 5.08 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: F[C@@H]1CCN(C1)CCOc1ccc(cc1)[C@@H]1Oc2ccc(cc2S[C@@H]1c1ccc(cc1)O)O
  • InChi: 1S/C26H26FNO4S/c27-19-11-12-28(16-19)13-14-31-22-8-3-17(4-9-22)25-26(18-1-5-20(29)6-2-18)33-24-15-21(30)7-10-23(24)32-25/h1-10,15,19,25-26,29-30H,11-14,16H2/t19-,25+,26-/m1/s1
  • InChiKey: SZCIUMNCRFCHKW-JSRBVGTNSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens estrogen receptor 1 Starlite/ChEMBL References
Homo sapiens estrogen receptor 2 (ER beta) 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
Loa Loa (eye worm) hypothetical protein estrogen receptor 2 (ER beta) 495 aa 418 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Onchocerca volvulus 0.0034 0.2214 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Loa Loa (eye worm) G-protein coupled receptor 0.0034 0.2214 0.2214
Trichomonas vaginalis dexras1, putative 0.0095 1 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus multilocularis G-protein coupled receptor, putative 0.0034 0.2214 0.2214
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0034 0.2214 0.2214
Onchocerca volvulus 0.0034 0.2214 1
Onchocerca volvulus 0.0034 0.2214 1
Brugia malayi Serotonin receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0095 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0034 0.2214 0.2214
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Schistosoma mansoni biogenic amine (5HT) receptor 0.0034 0.2214 1
Onchocerca volvulus 0.0034 0.2214 1
Echinococcus granulosus G protein coupled receptor 139 0.0034 0.2214 0.2214
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0034 0.2214 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Onchocerca volvulus 0.0034 0.2214 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Schistosoma mansoni myosin xvIII 0.0034 0.2214 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Echinococcus multilocularis serotonin receptor 0.0034 0.2214 0.2214
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0034 0.2214 0.2214
Echinococcus multilocularis neuropeptides capa receptor 0.0034 0.2214 0.2214
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.2214 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Brugia malayi Dopamine receptor protein 1 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0034 0.2214 0.2214
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0034 0.2214 0.2214
Entamoeba histolytica ras-1, putative 0.0095 1 0.5
Echinococcus granulosus g protein coupled receptor 0.0034 0.2214 0.2214
Brugia malayi RE15519p 0.0034 0.2214 0.2214
Echinococcus granulosus somatostatin receptor 0.0034 0.2214 0.2214
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0034 0.2214 0.2214
Onchocerca volvulus 0.0034 0.2214 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Echinococcus multilocularis ras gtpase 0.0095 1 1
Brugia malayi Ras-related protein R-Ras2 0.0095 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0034 0.2214 0.2214
Brugia malayi G protein-coupled receptor 0.0034 0.2214 0.2214
Echinococcus multilocularis neuropeptide receptor A26 0.0034 0.2214 0.2214
Onchocerca volvulus Neuropeptide F receptor homolog 0.0034 0.2214 1
Schistosoma mansoni amine GPCR 0.0034 0.2214 1
Loa Loa (eye worm) neuropeptide F receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) neuropeptide F receptor 0.0034 0.2214 0.2214
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) TYRA-2 protein 0.0034 0.2214 0.2214
Brugia malayi sulfakinin receptor protein 0.0034 0.2214 0.2214
Brugia malayi ORL1-like opioid receptor 0.0034 0.2214 0.2214
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0034 0.2214 0.2214
Brugia malayi G-protein coupled receptor 0.0034 0.2214 0.2214
Echinococcus granulosus g protein coupled receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0034 0.2214 0.2214
Brugia malayi Melatonin receptor type 1A 0.0034 0.2214 0.2214
Brugia malayi hypothetical protein 0.0034 0.2214 0.2214
Onchocerca volvulus 0.0034 0.2214 1
Brugia malayi hypothetical protein 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Entamoeba histolytica Ras family GTPase 0.0095 1 0.5
Onchocerca volvulus 0.0034 0.2214 1
Onchocerca volvulus 0.0034 0.2214 1
Onchocerca volvulus 0.0034 0.2214 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0034 0.2214 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0034 0.2214 0.2214
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Schistosoma mansoni neuropeptide receptor 0.0034 0.2214 1
Brugia malayi AKH receptor 0.0034 0.2214 0.2214
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.2214 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0034 0.2214 0.2214
Brugia malayi hypothetical protein 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Loa Loa (eye worm) G-protein coupled receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Schistosoma mansoni growth hormone secretagogue receptor 0.0034 0.2214 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0034 0.2214 1
Echinococcus multilocularis neuropeptide receptor 0.0034 0.2214 0.2214
Brugia malayi hypothetical protein 0.0034 0.2214 0.2214
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0034 0.2214 0.2214
Echinococcus granulosus neuropeptide receptor 0.0034 0.2214 0.2214
Schistosoma mansoni biogenic amine (5HT) receptor 0.0034 0.2214 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0034 0.2214 1
Brugia malayi hypothetical protein 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Schistosoma mansoni biogenic amine receptor 0.0034 0.2214 1
Echinococcus granulosus allatostatin A receptor 0.0034 0.2214 0.2214
Onchocerca volvulus 0.0034 0.2214 1
Trichomonas vaginalis ral, putative 0.0095 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Schistosoma mansoni hypothetical protein 0.0034 0.2214 1
Echinococcus granulosus neuropeptides capa receptor 0.0034 0.2214 0.2214
Brugia malayi hypothetical protein 0.0034 0.2214 0.2214
Schistosoma mansoni adenoreceptor 0.0034 0.2214 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0034 0.2214 0.2214
Echinococcus multilocularis somatostatin receptor 0.0034 0.2214 0.2214
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Echinococcus granulosus tachykinin peptides receptor 99D 0.0034 0.2214 0.2214
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0034 0.2214 1
Echinococcus granulosus hypothetical protein 0.0034 0.2214 0.2214
Schistosoma mansoni opsin-like receptor 0.0034 0.2214 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0034 0.2214 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.2214 1
Brugia malayi hypothetical protein 0.0034 0.2214 0.2214
Echinococcus multilocularis serotonin receptor 0.0034 0.2214 0.2214
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0034 0.2214 1
Echinococcus granulosus neuropeptide s receptor 0.0034 0.2214 0.2214
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus multilocularis dro:myosuppressin receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus granulosus serotonin receptor 0.0034 0.2214 0.2214
Echinococcus granulosus fmrfamide receptor 0.0034 0.2214 0.2214
Schistosoma mansoni biogenic amine receptor 0.0034 0.2214 1
Trichomonas vaginalis ras-dva small GTPase, putative 0.0095 1 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0034 0.2214 0.2214
Echinococcus multilocularis g protein coupled receptor 0.0034 0.2214 0.2214
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0034 0.2214 0.2214
Brugia malayi GnHR receptor homolog 0.0034 0.2214 0.2214
Echinococcus multilocularis g protein coupled receptor 0.0034 0.2214 0.2214
Echinococcus multilocularis neuropeptide Y receptor 0.0034 0.2214 0.2214
Schistosoma mansoni neuropeptide receptor 0.0034 0.2214 1
Schistosoma mansoni hypothetical protein 0.0034 0.2214 1
Brugia malayi hypothetical protein 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Brugia malayi neuropeptide F receptor 0.0034 0.2214 0.2214
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0034 0.2214 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0034 0.2214 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0034 0.2214 0.2214
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0034 0.2214 0.2214
Schistosoma mansoni opsin-like receptor 0.0034 0.2214 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Onchocerca volvulus 0.0034 0.2214 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0034 0.2214 1
Trichomonas vaginalis GTP-binding protein rit, putative 0.0095 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.2214 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0034 0.2214 0.2214
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0034 0.2214 1
Brugia malayi Dopamine receptor 0.0034 0.2214 0.2214
Echinococcus multilocularis neuropeptide receptor 0.0034 0.2214 0.2214
Echinococcus granulosus neuropeptide receptor 0.0034 0.2214 0.2214
Echinococcus granulosus g-protein coupled receptor 0.0034 0.2214 0.2214
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0034 0.2214 0.2214
Echinococcus multilocularis sex peptide receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) Ras protein let-60 0.0095 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.2214 1
Schistosoma mansoni biogenic amine receptor 0.0034 0.2214 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0034 0.2214 0.2214
Brugia malayi hypothetical protein 0.0034 0.2214 0.2214
Echinococcus multilocularis neuropeptide Y receptor 0.0034 0.2214 0.2214
Brugia malayi hypothetical protein 0.0034 0.2214 0.2214
Echinococcus granulosus sex peptide receptor 0.0034 0.2214 0.2214
Schistosoma mansoni amine GPCR 0.0034 0.2214 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0034 0.2214 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.2214 1
Brugia malayi follicle stimulating hormone receptor 0.0034 0.2214 0.2214
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Echinococcus multilocularis allatostatin A receptor 0.0034 0.2214 0.2214
Echinococcus granulosus g protein coupled receptor 0.0034 0.2214 0.2214
Echinococcus granulosus neuropeptides capa receptor 0.0034 0.2214 0.2214
Echinococcus granulosus tm gpcr rhodopsin 0.0034 0.2214 0.2214
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0034 0.2214 0.2214
Brugia malayi G protein-coupled receptor F59B2.13 0.0034 0.2214 0.2214
Schistosoma mansoni hypothetical protein 0.0034 0.2214 1
Brugia malayi neuropeptide F receptor 0.0034 0.2214 0.2214
Schistosoma mansoni hypothetical protein 0.0034 0.2214 1
Onchocerca volvulus 0.0034 0.2214 1
Brugia malayi Serotonin receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0034 0.2214 0.2214
Echinococcus multilocularis neuropeptides capa receptor 0.0034 0.2214 0.2214
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.2214 1
Brugia malayi Dopamine receptor protein 2 0.0034 0.2214 0.2214
Echinococcus multilocularis g protein coupled receptor 0.0034 0.2214 0.2214
Echinococcus granulosus neuropeptide FF receptor 2 0.0034 0.2214 0.2214
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0034 0.2214 0.2214
Loa Loa (eye worm) melatonin receptor type 1A 0.0034 0.2214 0.2214
Echinococcus multilocularis g-protein coupled receptor 0.0034 0.2214 0.2214
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Echinococcus multilocularis neuropeptide s receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus multilocularis fmrfamide receptor 0.0034 0.2214 0.2214
Echinococcus granulosus neuropeptide receptor A26 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Onchocerca volvulus 0.0034 0.2214 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0034 0.2214 0.2214
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Echinococcus multilocularis orexin receptor type 2 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Trichomonas vaginalis rheb, putative 0.0095 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0034 0.2214 0.2214
Onchocerca volvulus 0.0034 0.2214 1
Schistosoma mansoni amine GPCR 0.0034 0.2214 1
Echinococcus granulosus tm gpcr rhodopsin 0.0034 0.2214 0.2214
Schistosoma mansoni neuropeptide F-like receptor 0.0034 0.2214 1
Schistosoma mansoni histamine h1 receptor 0.0034 0.2214 1
Brugia malayi larval opioid receptor 0.0034 0.2214 0.2214
Echinococcus granulosus tm gpcr rhodopsin 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus granulosus 7tm_1 domain containing protein 0.0034 0.2214 0.2214
Echinococcus granulosus neuropeptide Y receptor 0.0034 0.2214 0.2214
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.2214 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0034 0.2214 0.2214
Schistosoma mansoni neuropeptide F-like receptor 0.0034 0.2214 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus granulosus 7TM GPCR rhodopsin 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0034 0.2214 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0034 0.2214 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Brugia malayi putative neuropeptide receptor NPR1 0.0034 0.2214 0.2214
Schistosoma mansoni neuropeptide receptor 0.0034 0.2214 1
Schistosoma mansoni opsin-like receptor 0.0034 0.2214 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Onchocerca volvulus 0.0034 0.2214 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0034 0.2214 0.2214
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0034 0.2214 1
Echinococcus granulosus orexin receptor type 2 0.0034 0.2214 0.2214
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0034 0.2214 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Schistosoma mansoni neuropeptide receptor 0.0034 0.2214 1
Brugia malayi G-protein coupled receptor 0.0034 0.2214 0.2214
Echinococcus multilocularis fmrfamide receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0034 0.2214 0.2214
Echinococcus granulosus neuropeptide Y receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0034 0.2214 1
Brugia malayi putative neuropeptide receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus granulosus dro:myosuppressin receptor 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Schistosoma mansoni amine GPCR 0.0034 0.2214 1
Onchocerca volvulus 0.0034 0.2214 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus multilocularis rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Schistosoma mansoni amine GPCR 0.0034 0.2214 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.2214 0.2214
Echinococcus granulosus ras gtpase 0.0095 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0034 0.2214 0.2214
Echinococcus granulosus alpha 1A adrenergic receptor 0.0034 0.2214 0.2214
Entamoeba histolytica Ras family GTPase 0.0095 1 0.5
Trichomonas vaginalis rap1 and, putative 0.0095 1 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0034 0.2214 0.2214
Echinococcus multilocularis G protein coupled receptor 139 0.0034 0.2214 0.2214

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.5 nM Binding potency for human ER alpha ChEMBL. 15225686
IC50 (binding) = 0.5 nM Binding potency for human ER alpha ChEMBL. 15225686
IC50 (functional) = 3.8 nM In vitro antagonistic activity against MCF-7 cells was tested using proliferation assay ChEMBL. 15225686
IC50 (functional) = 3.8 nM In vitro antagonistic activity against MCF-7 cells was tested using proliferation assay ChEMBL. 15225686
IC50 (binding) = 59 nM Binding potency for human ER beta ChEMBL. 15225686
IC50 (binding) = 59 nM Binding potency for human ER beta ChEMBL. 15225686
Ratio (binding) = 118 Selectivity ratio for ER beta to ER alpha receptor ChEMBL. 15225686
Ratio (binding) = 118 Selectivity ratio for ER beta to ER alpha receptor ChEMBL. 15225686
Uterine activity (functional) = 35 % Percent agonism of estradiol in rat uterine tissue at 1 mg/kg ChEMBL. 15225686
Uterine activity (functional) = 35 % Percent agonism of estradiol in rat uterine tissue at 1 mg/kg ChEMBL. 15225686
Uterine activity (functional) = 58 % Percent antagonism of estradiol in rat uterine tissue at 1 mg/kg ChEMBL. 15225686
Uterine activity (functional) = 58 % Percent antagonism of estradiol in rat uterine tissue at 1 mg/kg ChEMBL. 15225686

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15225686

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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