General
Preferred name
LEONURINE
Synonyms
SCM-198 hydrochloride ()
SCM-198 HCl ()
Leonurine hydrochloride ()
Leonurine (hydrochloride) ()
SCM-198 ()
P&D ID
PD063778
CAS
24735-18-0
24697-74-3
Tags
natural product
available
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 ]]
Compound Sets
5
Cayman Chemical Bioactives
Drug Repurposing Hub
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
311.15
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
8
Ring Count
1
Aromatic Ring Count
1
cLogP
0.83
TPSA
126.89
Fraction CSP3
0.43
Chiral centers
0.0
Largest ring
6.0
QED
0.24
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Autophagy
Target
TLR
MOA
anti-inflammatory agent
Source data
