WAY200070

Ligand id: 4052

Name: WAY200070

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 66.49
Molecular weight 304.97
XLogP 2.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(7-bromo-5-hydroxy-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,5-dien-1-one
Synonyms
WAY 200070
WAY-200070
Database Links
CAS Registry No. 440122-66-7 (source: Scifinder)
ChEMBL Ligand CHEMBL188528
PubChem CID 9861330
Search Google for chemical match using the InChIKey BAAILVWEAXFTSF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BAAILVWEAXFTSF
Comments
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.