General
Preferred name
NERIIFOLIN
Synonyms
17β-Neriifolin ()
17¦Â-Neriifolin ()
P&D ID
PD157850
CAS
466-07-9
Tags
available
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 Neriifolin, a CNS-penetrating cardiac glycoside, is an inhibitor of the Na+, K+-ATPase. Neriifolin can target beclin 1, inhibits the formation of LC3-associated phagosomes and ameliorates experimental autoimmune encephalomyelitis (EAE) development. Neriifolin induces cell cycle arrest and apoptosis in human hepatocellular carcinoma HepG2 cells[1][2.
PRICE 420
DESCRIPTION Neriifolin (17??-Neriifolin), a cardiac glycoside extracted from the unripe fruit of Cerbera manghas, is a Na+K+-ATPase inhibitor with anticancer activity that inhibits cell proliferation by suppressing HOXA9-dependent gene expression and inducing apoptosis in the human acute myeloid cell line, THP-1. Neriifolin induces cell cycle arrest and apoptosis in human hepatocellular carcinoma HepG2 cells and can be used in prostate cancer research.
Cell lines
1
Organisms
1
Compound Sets
1
MedChem Express Bioactive Compound Library
HY-N8441
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
534.32
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
6
Aromatic Ring Count
0
cLogP
3.11
TPSA
114.68
Fraction CSP3
0.9
Chiral centers
13.0
Largest ring
6.0
QED
0.37
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Apoptosis
Atg8/LC3
Beclin1
Na+/K+ ATPase
Pathway
Autophagy
Membrane Transporter/Ion Channel
Source data