General
Preferred name
ETHOXYQUIN
Synonyms
Santoquin ()
Santoflex ()
Quinol ()
Santoquin, Santoflex, Quinol ()
E324 ()
P&D ID
PD001515
CAS
91-53-2
8047-04-9
63301-91-7
Tags
drug candidate
natural product
available
Drug Status
investigational
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
1
Organisms
0
Compound Sets
11
AdooQ Bioactive Compound Library
A16988
Cayman Chemical Bioactives
23094
Drug Repurposing Hub
DrugBank
DB16866
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
HY-B1425
NPC Screening Collection
Prestwick Chemical Library
Selleckchem Bioactive Compound Library
ethoxyquin
TargetMol Bioactive Compound Library
T0756
The Spectrum Collection
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
217.15
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
1
cLogP
3.69
TPSA
21.26
Fraction CSP3
0.43
Chiral centers
0.0
Largest ring
6.0
QED
0.82
Structural alerts
1
anil_di_alk_C(246)
c:1:c:c(:c:c:c:1-[#8]-[#6;X4])-[#7;$([#7!H0]-[#6;X4]),$([#7](-[#6;X4])-[#6;X4])]
PAINS Family A
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Metabolism
Cell Cycle/DNA Damage
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
HSP90
Reactive Oxygen Species
HSP (HSP90)
MOA
HSP
Antioxidant
Source data