WAY200070   Click here for help

GtoPdb Ligand ID: 4052

Synonyms: WAY 200070 | WAY-200070
Compound class: Synthetic organic
Comment: WAY200070 is an estrogen receptor β (ERβ) selective agonist (68-fold selective over ERα) [1-2]. It displays antianxiolytic and antidepressive effects in vivo [2].
The PubChem CID above represents an alternative tautomer which is an intermediate of the equilibrium shift between phenol and phenolate undergone by the phenol group.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 66.49
Molecular weight 304.97
XLogP 3.15
No. Lipinski's rules broken 0
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Canonical SMILES Oc1ccc(cc1)c1oc2c(n1)cc(cc2Br)O
Isomeric SMILES Oc1ccc(cc1)c1oc2c(n1)cc(cc2Br)O
InChI InChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H
1. Clipperton AE, Spinato JM, Chernets C, Pfaff DW, Choleris E. (2008)
Differential effects of estrogen receptor alpha and beta specific agonists on social learning of food preferences in female mice.
Neuropsychopharmacology, 33 (10): 2362-75. [PMID:18004284]
2. Hughes ZA, Liu F, Platt BJ, Dwyer JM, Pulicicchio CM, Zhang G, Schechter LE, Rosenzweig-Lipson S, Day M. (2008)
WAY-200070, a selective agonist of estrogen receptor beta as a potential novel anxiolytic/antidepressant agent.
Neuropharmacology, 54 (7): 1136-42. [PMID:18423777]
3. Malamas MS, Manas ES, McDevitt RE, Gunawan I, Xu ZB, Collini MD, Miller CP, Dinh T, Henderson RA, Keith JC et al.. (2004)
Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
J Med Chem, 47 (21): 5021-40. [PMID:15456246]