General
Preferred name
Alpha-Estradiol
Synonyms
17α-estradiol ()
Epiestradiol ()
Epiestrol ()
Alfatradiol ()
17??-Estradiol ()
α-Estradiol ()
MX-4509 ()
¦Á-Estradiol, 17alpha-Estradiol, Alfatradiol, Epiestradiol, Epiestrol, Alora, 17 ¦Á-E2 ()
17α-estradiol ()
17ALPHA-ESTRADIOL ()
17a-estradiol ()
17.alpha.-Estradiol ()
Estradiol 17-.alpha. ()
Estradiol, .alpha.- ()
.alpha.-estradiol ()
P&D ID
PD015587
CAS
57-91-0
50-28-2
Tags
drug candidate
natural product
available
Drug indication
Neurological disorder
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
17α-Estradiol is a minor and weak endogenous steroidal estrogen. It is the C17 epimer of estradiol.
(GtoPdb)
DESCRIPTION
Endogenous ER agonist
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
13
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
DrugMAP
Guide to Pharmacology
Ki Database
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
NURSA ligand set
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Molecular Weight
272.18
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
1
cLogP
3.61
TPSA
40.46
Fraction CSP3
0.67
Chiral centers
5.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Endocrinology/Hormones
Anti-infection
Metabolic Enzyme/Protease
Target
ER??
5 alpha Reductase
Bacterial
Endogenous Metabolite
Estrogen/progestogen Receptor
Primary Target
Estrogen and Related Receptors
MOA
Agonist
"Estrogen Receptor (ER) Agonists
Steroid 5alpha-Reductase Inhibitors"
Estrogen Receptor (ER) Agonists
Steroid 5alpha-Reductase Inhibitors
Member status
member
Source data
