General
Preferred name
estriol
Synonyms
Oestriol ()
NSC-12169 ()
16.ALPHA.-HYDROXYESTRADIOL ()
Ovestin ()
estriol succinate ()
Theelol ()
Aacifemine ()
Gynest ()
Incurin ()
Trihydroxyestrin ()
Estriol Acetate Benzoate ()
Estriol Propionate ()
16.alpha.,17.beta.-estriol ()
Ortho-Gynest ()
Colpogyn ()
estrogen ()
Estriol-d2 ()
P&D ID
PD009372
CAS
50-27-1
53866-32-3
Tags
probe
natural product
drug
available
Approved by
FDA
Drug Status
investigational
approved
vet_approved
Drug indication
Hormone deficiency
Multiple sclerosis
Max Phase
Phase 4
Probe info
Probe type
calculated probe
Probe sources
Probe Miner (suitable probes)
Probe targets
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 Estriol (E3) is one of the three main endogenous human estrogens. E3 is only produced in significant amounts during pregnancy, being synthesised in the placenta from 16-hydroxydehydroepiandrosterone sulfate (16-OH DHEAS), an androgen of fetal origin. (GtoPdb)
Cell lines
1
Organisms
0
Compound Sets
24
Cayman Chemical Bioactives
10006484
9002845
ChEMBL Approved Drugs
CHEMBL193482
ChEMBL Drugs
CHEMBL193482
Concise Guide to Pharmacology 2017/18
2821
Concise Guide to Pharmacology 2019/20
2821
Concise Guide to Pharmacology 2021/22
2821
Concise Guide to Pharmacology 2023/24
2821
Drug Repurposing Hub
DrugBank
DB04573
DrugBank Approved Drugs
DB04573
DrugCentral
3187
DrugCentral Approved Drugs
3187
DrugMAP
DMOEM2I
DrugMAP Approved Drugs
DMOEM2I
EU-OPENSCREEN Bioactive Compound Library
EOS101454
Guide to Pharmacology
2821
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL193482
MedChem Express Bioactive Compound Library
HY-B0412
NURSA ligand set
nursa/index.jsf?doi=10.1621%2FBGQLEYI2XD
Prestwick Chemical Library
Probe Miner (suitable probes)
Q92731/1240943
ReFrame library
Selleckchem Bioactive Compound Library
Estriol(Oestriol)
TargetMol Bioactive Compound Library
T1571
External IDs
118
Properties
(calculated by RDKit )
Molecular Weight
288.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
1
cLogP
2.58
TPSA
60.69
Fraction CSP3
0.67
Chiral centers
6.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Endocrinology/Hormones
Immunology/Inflammation
Metabolic Enzyme/Protease
Vitamin D Related/Nuclear Receptor
Target
ER
MRP1
ESR1, ESR2
Endogenous Metabolite
Estrogen Receptor/ERR
Estrogen/progestogen Receptor
Indication
menopause, vaginal atrophy, urinary tract infections
Disease Area
endocrinology, obstetrics/gynecology, infectious disease
MOA
Estrogen receptor agonist
Therapeutic Class
Estrogens
Source data