General
Preferred name
Sodium ferulate
Synonyms
Ferulic acid (sodium) ()
Coniferic acid (sodium) ()
Ferulic acid sodium salt ()
FEMA NO. 3812 ()
P&D ID
PD012054
CAS
24276-84-4
Tags
available
drug candidate
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 Ferulic acid sodium is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 ¦ÌM for FGFR1 and FGFR2, respectively.
Compound Sets
3
ChEMBL Drugs
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
216.04
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
1.04
TPSA
55.76
Fraction CSP3
0.1
Chiral centers
0.0
Largest ring
6.0
QED
0.61
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Protein Tyrosine Kinase/RTK
MOA
5-HT Receptor
Target
Endogenous Metabolite
FGFR
Reactive Oxygen Species (ROS)
Reactive Oxygen Species
Source data