General
Preferred name
APOCYNIN
Synonyms
Acetoguaiacone ()
NSC 2146 ()
Acetovanillone ()
Apocynin (Acetovanillone) ()
Apocynin (NSC 2146) ()
Acetovanillone, NSC 209524 ()
4'-Hydroxy-3'-methoxyacetophenone ()
NSC-209524 ()
4-hydroxy-3-methoxyacetophenone ()
P&D ID
PD000100
CAS
16522-48-8
498-02-2
Tags
drug candidate
natural product
available
Drug Status
investigational
Max Phase
Phase 1
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
Selective inhibitor of PI 3-kinase gamma
(Tocris Bioactive Compound Library)
DESCRIPTION
Apocynin, also known as acetovanillone, is a natural organic compound structurally related to vanillin. It has been isolated from a variety of plant sources and is being studied for its variety of pharmacological properties.Apocynin is a selective NADPH-oxidase inhibitor with IC50 of 10 μM.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
15
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
Enamine BioReference Compounds
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Molecular Weight
166.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.6
TPSA
46.53
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.68
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
NADPH oxidase
NOX4
NADPH-oxidase
Primary Target
NADPH Oxidase
MOA
Inhibitor
NADPH Oxidase Inhibitors
NADPH oxidase inhibitor
Member status
member
Source data
