General
Preferred name
PD125278
Synonyms
3alpha-Hydroxyurs-12-en-28-oic Acid ()
3-Epiursolic Acid ()
P&D ID
PD125278
CAS
989-30-0
Tags
available
drug candidate
Drug indication
Discovery agent
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()] ]]
Description
(extracted from source data)
DESCRIPTION
3-Epiursolic Acid is a triterpenoid that can be isolated from Eriobotrya japonica, acts as a competitive inhibitor of cathepsin L (IC50, 6.5 ¦ÌM; Ki, 19.5 ¦ÌM), with no obvious effect on cathepsin B[1].
PRICE
202
DESCRIPTION
3-Epiursolic acid may have antiinflammatory activity, it shows inhibition on Cathepsins L (catL), the IC50 value of 6.5 ??M, cathepsins L (catL) and B play an important role in tumor progression and have been considered promising therapeutic targets in the development of novel anticancer agents.
DESCRIPTION
3-Epiursolic acid may have antiinflammatory activity, it shows inhibition on Cathepsins L (catL), the IC50 value of 6.5 μM, cathepsins L (catL) and B play an important role in tumor progression and have been considered promising therapeutic targets in the development of novel anticancer agents.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Molecular Weight
456.36
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
0
cLogP
7.09
TPSA
57.53
Fraction CSP3
0.9
Chiral centers
10.0
Largest ring
6.0
QED
0.41
Structural alerts
1
Nonspecific/NOS
IMP
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Target
Cathepsin
Immunology/Inflammation related
Pathway
Metabolic Enzyme/Protease
Immunology/Inflammation
Proteases/Proteasome
Source data
