General
Preferred name
MYRICETIN
Synonyms
ML061 ()
Cannabiscetin ()
Myricetin (Cannabiscetin) ()
NSC-407290 ()
P&D ID
PD002690
CAS
529-44-2
Tags
covalent binder
probe
natural product
drug candidate
nuisance
available
Drug indication
Discovery agent
Drug Status
experimental
Probe info
Probe type
experimental probe
Probe sources
MLP Probes
Probe targets
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 1. Transfer and run the HTS assay for the DNA polymerase III Holoenzyme (Pol III HE) from the representative Gram (-) model organism E. coli. 2. Prioritize compounds identified via HTS of the MLSCN library for further chemical optimization and development. (MLP Probes)
DESCRIPTION flavonoid antioxidant (Informer Set)
DESCRIPTION Casein Kinase II inhibitor (LOPAC library)
DESCRIPTION Toll-like receptor (TLR) 5/Flagellin complex antagonist (Tocris Bioactive Compound Library)
Cell lines
6
Organisms
7
Compound Sets
21
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
Informer Set
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
MLP Probes
Novartis Chemogenetic Library (NIBR MoA Box)
Nuisance compounds in cellular assays
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Tocris Bioactive Compound Library
External IDs
45
Properties
(calculated by RDKit )
Molecular Weight
318.04
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
6
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
1.69
TPSA
151.59
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.37
Structural alerts
3
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Nonspecific/NOS
Flavonoid
Nuisance compounds in cellular assays
Custom attributes
(extracted from source data)
Compound status
probe
Selectivity
Casein Kinase II
Antitarget
Polymerase Core: 277
Pathway
PI3K/Akt/mTOR signaling
Apoptosis
Autophagy
Metabolic Enzyme/Protease
PI3K/Akt/mTOR
Target
PI3K??
PIK3CG
Endogenous Metabolite
PI3K
MEK
Primary Target
Thioredoxin Reductases
MOA
Inhibitor
Androgen Receptor Ligands
Cytochrome P450 CYP3A4 Inhibitors
Antioxidants
androgen receptor agonist, cytochrome P450 inhibitor
Member status
virtual
Source data