General
Preferred name
Ethyl gallate
Synonyms
Phyllemblin ()
gallic acid ethyl ester ()
Nipagallin A ()
ETHYLGALLATE ()
Phyllemblin, gallic acid ethyl ester ()
E313 ()
P&D ID
PD065354
CAS
831-61-8
52441-13-1
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
2
Organisms
0
Compound Sets
5
Cayman Chemical Bioactives
34193
DrugMAP
DMJ6PB8
MedChem Express Bioactive Compound Library
HY-N0525
Selleckchem Bioactive Compound Library
ethyl-gallate
TargetMol Bioactive Compound Library
T3729
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
198.05
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
0.98
TPSA
86.99
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.49
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Cytoskeletal Signaling
NF-??b
Proteases/Proteasome
PI3K/Akt/mTOR signaling
Anti-infection
Target
Akt
MMP-2
MMP-9
NF-??B
NF-??
Bacterial
Bcl-2,Caspase
Source data