General
Preferred name
Vasicinone
Synonyms
(-)-Vasicinone ()
P&D ID
PD045939
CAS
486-64-6
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 Vasicinone is a quinazoline alkaloid isolated from the Adhatoda vasica. Vasicinone is a potential agent for Parkinson's disease and possibly other oxidative stress-related neurodegenerative disorders[1].
PRICE 221
DESCRIPTION Vasicinone may act as a hepatoprotective agent. (??)-Vasicinone has significant antitussive, expectorant, and bronchodilating activities, which can be used to treat respiratory disease.(S)-Vasicinone exhibits antiproliferative activity against human gastric cancer cells MCG-803.
DESCRIPTION Vasicinone may act as a hepatoprotective agent. (±)-Vasicinone has significant antitussive, expectorant, and bronchodilating activities, which can be used to treat respiratory disease.(S)-Vasicinone exhibits antiproliferative activity against human gastric cancer cells MCG-803. (TargetMol Bioactive Compound Library)
Cell lines
2
Organisms
0
Compound Sets
3
Cayman Chemical Bioactives
11761
MedChem Express Bioactive Compound Library
HY-N1100
TargetMol Bioactive Compound Library
TC0039
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
202.07
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
2
cLogP
0.83
TPSA
55.12
Fraction CSP3
0.27
Chiral centers
1.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data