General
Preferred name
PRISTIMERIN
Synonyms
Celastrol methyl ester ()
P&D ID
PD040546
CAS
1258-84-0
147605-75-2
Tags
available
natural product
drug candidate
Drug Status
investigational
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 Pristimerin is a potent and reversible monoacylglycerol lipase (MGL) inhibitor with an IC50 of 93 nM.
DESCRIPTION Pristimerin is a naturally ocurring terpenoid compound that has been isolated from the seeds of the plant Celastrus paniculatus. It has been attributed with multiple biological activities, and is the subject of medicinal chemistry efforts to produce bioactive synthetic derivatives with therapeutic potential . Molecular targets and mechanism of action are yet to be fully determined. (GtoPdb)
Cell lines
12
Organisms
1
Compound Sets
5
DrugBank
DB17049
Guide to Pharmacology
13530
MedChem Express Bioactive Compound Library
HY-N1937
Reference compounds for characterizing cellular injury in high-content cellular morphology assays
Selleckchem Bioactive Compound Library
pristimerin
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
464.29
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
0
cLogP
6.79
TPSA
63.6
Fraction CSP3
0.67
Chiral centers
6.0
Largest ring
6.0
QED
0.43
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
NF-¦ÊB
Bacterial
Lipase
Pathway
NF-¦ªb
Anti-infection
Cellular injury category
Miscellaneous
Source data