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
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.
Database Links
CAS Registry No. 440122-66-7 (source: Scifinder)
ChEMBL Ligand CHEMBL188528
GtoPdb PubChem SID 178100876
PubChem CID 9861330
Search Google for chemical match using the InChIKey BAAILVWEAXFTSF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BAAILVWEAXFTSF
Search UniChem for chemical match using the InChIKey BAAILVWEAXFTSF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BAAILVWEAXFTSF

Product suppliers

Tocris
WAY 200070
Cat. No. 3366