diethylstilbestrol

Ligand Id: 2801
Ligand name diethylstilbestrol

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 40.46
Molecular weight 268.15
XLogP 5.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: FDA (1973))
IUPAC Name
4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
International Nonproprietary Names
INN number INN
388 diethylstilbestrol
Database Links
BindingDB Ligand 20625
CAS Registry No. 56-53-1 (source: Scifinder)
ChEBI CHEBI:41922
ChEMBL Ligand CHEMBL411
Human Metabolome Database HMDB14400
NURSA Ligand li43
PubChem CID 448537
RCSB PDB Ligand DES
Search Google for chemical match using the InChIKey RGLYKWWBQGJZGM-ISLYRVAYSA-N
Search Google for chemicals with the same backbone RGLYKWWBQGJZGM
Search PubMed clinical trials diethylstilbestrol
Search PubMed titles diethylstilbestrol
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Wikipedia Diethylstilbestrol
ZINC ZINC00001290
Comments
Estrogen receptor alpha agonist