General
Preferred name
PRISTIMERIN
Synonyms
Celastrol methyl ester ()
Pristimerine ()
GNF-Pf-476 ()
P&D ID
PD040546
CAS
1258-84-0
147605-75-2
Tags
drug candidate
natural product
available
Drug Status
investigational
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
9
Organisms
1
Compound Sets
5
DrugBank
MedChem Express Bioactive Compound Library
Reference compounds for characterizing cellular injury in high-content cellular morphology assays
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
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)
Pathway
NF-??b
NF-¦ªb
Anti-infection
Target
NF-??B
NF-¦ÊB
Bacterial
Lipase
Cellular injury category
Miscellaneous
Source data
