General
Preferred name
BAICALEIN
Synonyms
5,6,7-Trihydroxyflavone ()
NSC-661431 ()
Noroxylin ()
P&D ID
PD000773
CAS
491-67-8
Tags
available
natural product
drug candidate
nuisance
Drug indication
Influenza virus infection
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 Baicalein suppresses (neuro)inflammation mediated by the NLRP3/caspase-1/GSDMD signalling pathway in vivo . (GtoPdb)
DESCRIPTION Potent MEK1 inhibitor. Also inhibits IkappaBalpha phosphorylation (Tocris Bioactive Compound Library)
DESCRIPTION 5- and 12-Lipoxygenase inhibitor (Tocriscreen Total)
Cell lines
12
Organisms
5
Compound Sets
19
AdooQ Bioactive Compound Library
A10120
Cayman Chemical Bioactives
70610
ChEMBL Drugs
CHEMBL8260
CZ-OPENSCREEN Bioactive Library
DrugBank
DB16101
DrugMAP
DM4C7E6
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS101057
Guide to Pharmacology
5144
IPPI - DB
1723
LINCS compound set
10343-101
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL8260
MedChem Express Bioactive Compound Library
HY-N0196
Nuisance compounds in cellular assays
ReFrame library
Selleckchem Bioactive Compound Library
Baicalein
TargetMol Bioactive Compound Library
T2858
Tocris Bioactive Compound Library
1761
Tocriscreen Total
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
270.05
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
2.58
TPSA
90.9
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
3
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Nonspecific/NOS
Flavonoid
Nuisance compounds in cellular assays
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Apoptosis
Anti-infection
Metabolic Enzyme/Protease
Target
XO
Ferroptosis
Influenza Virus
Xanthine oxidase
P450 (e.g. CYP17),PREP
Primary Target
Lipoxygenases
MOA
Inhibitor
Source data