General
Preferred name
WEDELOLACTONE
Synonyms
IKK Inhibitor II ()
FW73945 ()
P&D ID
PD018300
CAS
524-12-9
Tags
available
natural product
drug candidate
Drug indication
Discovery agent
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Found in Eclipta alba (false daisy) and in Wedelia calendulacea.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
2
Compound Sets
11
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugMAP
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Molecular Weight
314.04
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
4
cLogP
2.82
TPSA
113.27
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.37
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-??b
NF-¦ªb
Apoptosis
Metabolic Enzyme/Protease
Target
NF-??B
NF-¦ÊB
Caspase
Lipoxygenase
Caspase,I??/IKK
MOA
NF-¦ÊB inhibitor
Source data
