General
Preferred name
Eupatilin
Synonyms
NSC 122413 ()
NSC-122413 ()
P&D ID
PD017172
CAS
22368-21-4
Tags
natural product
drug candidate
nuisance
available
Drug Status
investigational
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
7
Organisms
0
Compound Sets
9
Cayman Chemical Bioactives
19601
ChEMBL Drugs
CHEMBL312750
Drug Repurposing Hub
DrugBank
DB16885
MedChem Express Bioactive Compound Library
HY-N0783
Nuisance compounds in cellular assays
ReFrame library
Selleckchem Bioactive Compound Library
eupatilin
TargetMol Bioactive Compound Library
T3362
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
344.09
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
2.9
TPSA
98.36
Fraction CSP3
0.17
Chiral centers
0.0
Largest ring
6.0
QED
0.75
Structural alerts
1
Nonspecific/NOS
Flavonoid
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Pathway
Autophagy
DNA Damage/DNA Repair
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Vitamin D Related/Nuclear Receptor
Target
PPAR
MOA
mucus protecting agent
Source data