General
Preferred name
estrone
Synonyms
Oestrone ()
Fluoroethyl ()
Aquacrine ()
E1 ()
Folliculin ()
Estrogenic Substance ()
Theelin ()
Folliculinum ()
Thelykinin ()
NSC-9699 ()
WAY 164397 ()
Follicular-hormone ()
Estradiol metabolite e1 ()
ketohydroxyestrin ()
Natural estrogenic substance-estrone ()
Follicular hormone ()
Tokokin ()
1,3,5-estratrien-3-ol-17-one ()
estrogen ()
Estrone-d2 ()
P&D ID
PD002719
CAS
53-16-7
37242-41-4
350820-16-5
Tags
natural product
drug
available
Approved by
FDA
First approval
1979
Drug Status
approved
Drug indication
Menopausal and postmenopausal disorder
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 Estrone, is an important endogenous mammalian estrogen, produced in vivo from androstenedione in the ovaries, placenta, and in adipose tissue. Post-menopausally, this is the primary circulating estrogen. (GtoPdb)
DESCRIPTION Luteolytic estrogen produced by the corpus luteum (LOPAC library)
Cell lines
1
Organisms
2
Compound Sets
27
Cayman Chemical Bioactives
10006485
9002844
ChEMBL Approved Drugs
CHEMBL1405
ChEMBL Drugs
CHEMBL1405
Concise Guide to Pharmacology 2017/18
2818
Concise Guide to Pharmacology 2019/20
2818
Concise Guide to Pharmacology 2021/22
2818
Concise Guide to Pharmacology 2023/24
2818
Drug Repurposing Hub
DrugBank
DB00655
DrugBank Approved Drugs
DB00655
DrugCentral
3188
DrugCentral Approved Drugs
3188
DrugMAP
DM5T6US
DrugMAP Approved Drugs
DM5T6US
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS101512
Guide to Pharmacology
2818
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1405
MedChem Express Bioactive Compound Library
HY-B0234
NCATS Inxight Approved Drugs
2DI9HA706A
NPC Screening Collection
NURSA ligand set
nursa/index.jsf?doi=10.1621%2FLI9XVGKA6N
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
Estrone
TargetMol Bioactive Compound Library
T1009
External IDs
53
Properties
(calculated by RDKit )
Molecular Weight
270.16
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
1
cLogP
3.82
TPSA
37.3
Fraction CSP3
0.61
Chiral centers
4.0
Largest ring
6.0
QED
0.78
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Estrogen
Pathway
Endocrinology/Hormones
Metabolic Enzyme/Protease
Vitamin D Related/Nuclear Receptor
Target
ER
ESR1, ESR2
Endogenous Metabolite
Estrogen Receptor/ERR
Estrogen/progestogen Receptor
MOA
estrogen receptor agonist, estrogenic hormone
Indication
menopause
Therapeutic Class
Antimenopausal Agents
Source data