General
Preferred name
alpha-MANGOSTIN
Synonyms
¦Á-Mangostin ()
MANGOSTIN ()
??-Mangostin ()
α-Mangostin ()
NSC-30552 ()
?-Mangostin ()
P&D ID
PD000768
CAS
6147-11-1
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
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 Oligomeric aggregation inhibitor; inhibits prion protein and alpha-synuclein aggregate formation (Tocris Bioactive Compound Library)
Cell lines
15
Organisms
2
Compound Sets
11
Cayman Chemical Bioactives
29108
DrugMAP
DMYQGDV
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL323197
MedChem Express Bioactive Compound Library
HY-N0328
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
alpha-mangostin
TargetMol Bioactive Compound Library
T1717
The Spectrum Collection
Tocris Bioactive Compound Library
6856
ZINC Tool Compounds
ZINC000005430812
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
410.17
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
3
cLogP
5.09
TPSA
100.13
Fraction CSP3
0.29
Chiral centers
0.0
Largest ring
6.0
QED
0.4
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Metabolism
Anti-infection
Apoptosis
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
IDH1-R132H
Bacterial
Fungal
Reactive Oxygen Species
Virus Protease
Dehydrogenase,STING
Primary Target
Cancer Stem Cells
Member status
member
MOA
Fatty Acid Synthase Inhibitors
Acidic Sphingomyelinase (A-SMase) Inhibitors
Antioxidants
Source data