General
Preferred name
GALLIC ACID
Synonyms
Bismuth subgallate hydrate ()
Benzoic acid, 3,4,5-trihydroxy- ()
3,4,5-Trihydroxybenzoic acid ()
Gallate ()
BENZOIC ACID ()
3,4,5-Trihydroxybenzoic acid (hydrate) ()
GALLICACID ()
Gallic acid (hydrate) ()
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid ()
Kyselina gallová ()
Gallic Acid-d2 ()
NSC-674319 ()
NSC-20103 ()
P&D ID
PD002145
CAS
149-91-7
137657-43-3
5995-86-8
294660-92-7
Tags
available
natural product
drug candidate
nuisance
Drug indication
Discovery agent
Drug Status
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Gallic acid is a plant-derived phenolic acid compound. (GtoPdb)
Cell lines
7
Organisms
4
Compound Sets
17
Axon Medchem Screening Library
Cayman Chemical Bioactives
ChEMBL Drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugMAP
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Nuisance compounds in cellular assays
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
External IDs
51
Properties
(calculated by RDKit )
Molecular Weight
170.02
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.5
TPSA
97.99
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.46
Structural alerts
1
Nonspecific/NOS
IMP
Nuisance compounds in cellular assays
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
Apoptosis
Metabolic Enzyme/Protease
NF-κB
Target
ROS
CA1, CA12, CA14, CA2, CA4, CA6, CA9, SELP
HAT inhibitor
Muli-affinity drug
COX
Endogenous Metabolite
Ferroptosis
Reactive Oxygen Species
Member status
virtual
MOA
Apoptosis Inducers
beta-Amyloid (Abeta) Aggregation Inhibitors
Antioxidants
PPARgamma Agonists
beta-Amyloid (Abeta) Protein Neurotoxicity Inhibitors
beta amyloid protein neurotoxicity inhibitor, PPAR receptor agonist
Source data