General
Preferred name
ESTRONE SODIUM SULFATE
Synonyms
Estrone sulfate (sodium) ()
Estrone sodium sulphate ()
NSC-18313 ()
Sodium estrone sulphate ()
Sodium estrone sulfate ()
Estrone 3-sulfate (sodium salt) ()
P&D ID
PD003189
CAS
438-67-5
Tags
available
drug candidate
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
Cayman Chemical Bioactives
ChEMBL Drugs
MedChem Express Bioactive Compound Library
NIH Clinical Collections (NCC)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
372.1
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
1
cLogP
-0.05
TPSA
83.5
Fraction CSP3
0.61
Chiral centers
4.0
Largest ring
6.0
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Vitamin D Related/Nuclear Receptor
Target
Endogenous Metabolite
Estrogen Receptor/ERR
Source data
