General
Preferred name
DIETHYLSTILBESTROL
Synonyms
Stilbestrol ()
DES ()
Stilbestroform ()
Fonatol ()
Synthestrin ()
Apstil ()
Palestrol ()
New-Estranol 1 ()
Stilbestro ()
Estrogenine ()
Stilboesterol ()
Tampovagan ()
Estrobene ()
Estromenin ()
Stilbetin ()
Stilboestrol ()
Distilbene ()
Synestrin ()
Cyren A ()
NSC-3070 ()
estrogen ()
P&D ID
PD002375
CAS
56-53-1
22610-99-7
Tags
natural product
drug
available
Approved by
FDA
First approval
1973
Drug Status
investigational
approved
withdrawn
Drug indication
Gonorrheal vaginitis
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Nonsteroidal estrogen receptor alpha (ERĪ±) agonist. (GtoPdb)
Cell lines
5
Organisms
1
Compound Sets
25
Axon Medchem Screening Library
3320
Cayman Chemical Bioactives
10006876
ChEMBL Approved Drugs
CHEMBL411
ChEMBL Drugs
CHEMBL411
Drug Repurposing Hub
DrugBank
DB00255
DrugBank Approved Drugs
DB00255
DrugCentral
875
DrugCentral Approved Drugs
875
DrugMAP
DMN3UXQ
DrugMAP Approved Drugs
DMN3UXQ
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS101575
Guide to Pharmacology
2801
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL411
MedChem Express Bioactive Compound Library
HY-14598
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
NURSA ligand set
nursa/index.jsf?doi=10.1621%2FGYGXGQW5SL
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
Diethylstilbestrol(Stilbestrol)
TargetMol Bioactive Compound Library
T1216
The Spectrum Collection
Withdrawn 2.0
w119
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
268.15
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
4.83
TPSA
40.46
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.78
QED
0.78
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Endocrinology/Hormones
Apoptosis
Autophagy
Vitamin D Related/Nuclear Receptor
Target
ER
ESR1, ESR2, ESRRB, ESRRG
ER-a agonist
Estrogen Receptor/ERR
Estrogen/progestogen Receptor
Member status
member
MOA
Chloride Channel Blockers
Estrogen Receptor (ER) Agonists
Estrogen receptor agonist
ATC
G03CB02
L02AA01
Toxicity type
reproductive
Therapeutic Class
Anticancer Agents
Source data