Ligand Id: 2818
Ligand name estrone

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.3
Molecular weight 270.16
XLogP 4.04
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)
IUPAC Name
(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
International Nonproprietary Names
INN number INN
407 estrone
Synonyms
oestrone
Database Links
BindingDB Ligand 25829
CAS Registry No. 53-16-7
ChEBI CHEBI:17263
ChEMBL Ligand 121685
DrugBank Ligand DB00655
Human Metabolome Database HMDB00145
Lipid Maps LMST02010004
NURSA Ligand 1055
PubChem CID 5870
RCSB PDB Ligand J3Z
Search on ChemSpider DNXHEGUUPJUMQT-CBZIJGRNSA-N
Wikipedia Estrone
ZINC ZINC13509425

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

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