General
Preferred name
CONVALLATOXIN
Synonyms
P&D ID
PD132922
CAS
508-75-8
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 Convallatoxin is a cardiac glycoside isolated from Adonis amurensis Regel et Radde. Convallatoxin ameliorates colitic inflammation via activation of PPAR¦Ã and suppression of NF-¦ÊB. Convallatoxin is a P-glycoprotein (P-gp) substrate and recognized Val982 as an important amino acid involved in its transport. Convallatoxin is an enhancer of ligand-induced MOR endocytosis with high potency and efficacy. Anti-inflammatory and anti-proliferative properties[1][2][3].
PRICE 472
DESCRIPTION Convallatoxin is a natural product. (TargetMol Bioactive Compound Library)
Cell lines
2
Organisms
0
Compound Sets
3
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
HY-N2453
TargetMol Bioactive Compound Library
TN1525
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
550.28
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
5
Rotatable Bonds
4
Ring Count
6
Aromatic Ring Count
0
cLogP
0.75
TPSA
162.98
Fraction CSP3
0.86
Chiral centers
13.0
Largest ring
6.0
QED
0.19
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
NF-κB
P-gp (P-glycoprotein)
PPARγ
P-glycoprotein
PPAR
MOA
Cardiac glycoside
Pathway
DNA Damage/DNA Repair
Membrane Transporter/Ion Channel
Metabolism
Neuroscience
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Vitamin D Related/Nuclear Receptor
NF-¦ÊB
Source data