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

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: DrugBank)
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: Wikipedia)
ChEMBL Ligand 327813, 141684, 299947, 428137, 141622, 141683
DrugBank Ligand DB04573
Human Metabolome Database HMDB00153
NURSA Ligand 1035
PubChem CID 5756
RCSB PDB Ligand ESL, E3O
Search on ChemSpider PROQIPRRNZUXQM-ZXXIGWHRSA-N
Wikipedia Estriol
ZINC ZINC03815418

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org