General
Preferred name
PD005535
Synonyms
2-hydroxy-17beta-estradiol ()
2-Hydroxyestradiol ()
P&D ID
PD005535
CAS
362-05-0
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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
2-Hydroxyestradiol, a metabolite of 17¦Â-estradiol with minimal estrogenic activity, possesses antioxidant effects and reacts with DNA to form stable adducts and exerts genotoxicity[1][3].
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
39
Molecular Weight
288.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
1
cLogP
3.31
TPSA
60.69
Fraction CSP3
0.67
Chiral centers
5.0
Largest ring
6.0
QED
0.64
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Source data
