General
Preferred name
BAICALIN
Synonyms
Baicalein 7-O-¦Â-D-glucuronide ()
Baicalein 7-O-??-D-glucuronide ()
Baicalein 7-O-??D-glucuronide ()
TJ-14 ()
Baicalein 7-O-β-D-glucuronide ()
P&D ID
PD000637
CAS
21967-41-9
Tags
nuisance
natural product
drug
available
Drug indication
Human immunodeficiency virus infection
Drug Status
approved
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
2
Organisms
1
Compound Sets
10
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
DrugCentral
DrugCentral Approved Drugs
DrugMAP
MedChem Express Bioactive Compound Library
Nuisance compounds in cellular assays
ReFrame library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
446.08
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
6
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
3
cLogP
0.14
TPSA
187.12
Fraction CSP3
0.24
Chiral centers
5.0
Largest ring
6.0
QED
0.3
Structural alerts
1
Nonspecific/NOS
Flavonoid
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Target
NF-¦ÊB
GABAR
NF-??
HIV
Pathway
Membrane Transporter/Ion Channel
Neuroscience
Anti-infection
Autophagy
NF-κB
Source data
