estriol

Ligand Id: 2821
Ligand name estriol

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 0
Topological polar surface area 60.69
Molecular weight 288.17
XLogP 4.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Metabolite or derivative
Approved drug? Yes
DrugBank groups approved
IUPAC Name
(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16, 17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Database Links
CAS Registry No. 50-27-1 (source: Scifinder)
ChEMBL Ligand CHEMBL193482
DrugBank Ligand DB04573
Human Metabolome Database HMDB00153
NURSA Ligand 1035
PubChem CID 5756
RCSB PDB Ligand ESL, E3O
Search Google for chemical match using the InChIKey PROQIPRRNZUXQM-ZXXIGWHRSA-N
Search Google for chemicals with the same backbone PROQIPRRNZUXQM
Wikipedia Estriol
ZINC ZINC03815418
Comments
The US FDA does not approve marketing of estriol, although this compound has been approved and marketed in Europe and Asia for >40 years for the treatment of post-menopausal hot flashes.