General
Preferred name
HEXESTROL
Synonyms
Hexestrol Diphosphate Sodium ()
MESO-HEXESTROL ()
Hexanoestrol ()
Hexestrofen ()
Bibenzyl ()
NSC-9894 ()
Erythrohexestrol ()
Mesohexestrol ()
Hexestrol ()
P&D ID
PD004879
CAS
84-16-2
Tags
available
drug
Drug Status
approved
withdrawn
Max Phase
4.0
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
Hexestrol is a nonsteroidal synthetic estrogen, with a Ki of 0.06 and 0.06 nM for estrogen receptor alpha (ER¦Á) and ER¦Â. Hexestrol can be used for the research of the diseases caused by estrogen deficiencym, and it also can increase the weight of cattle[1][2][3].
PRICE
29
DESCRIPTION
Hexestrol (Hexanoestrol) binds to ER?? and ER?? with EC50 of 0.07 nM and 0.175 nM, respectively.
DESCRIPTION
Hexestrol is a nonsteroidal synthetic estrogen, with Kis of 0.06 and 0.06 nM, and EC50s of 0.07 and 0.175 nM for ERα and ERβ, respectively. It can be used to study diseases caused by estrogen deficiency and to increase the weight of cattle.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Hexestrol (Hexanoestrol) binds to ERα and ERβ with EC50 of 0.07 nM and 0.175 nM, respectively.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
1
Compound Sets
13
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugCentral
DrugCentral Approved Drugs
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Molecular Weight
270.16
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
2
cLogP
4.79
TPSA
40.46
Fraction CSP3
0.33
Chiral centers
2.0
Largest ring
6.0
QED
0.82
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
ERα
ERβ
Estrogen Receptor/ERR
ER¦Á
ER¦Â
AKR1C1, ESR1, ESR2
Estrogen/progestogen Receptor
MOA
Estrogen/Progestogen Receptor agonist
synthetic estrogen
Indication
hypoestrogenism
Pathway
Vitamin D Related/Nuclear Receptor
Endocrinology/Hormones
Solubility
Slightly soluble in DMSO, Methanol
Source data
