General
Preferred name
URSOLIC ACID
Synonyms
Malol ()
Urson ()
Prunol ()
NSC 167406 ()
NSC-4060 ()
Urosolic acid ()
Ursolic acid (Malol) ()
NSC 167406, NSC-4060, Prunol, Urson, Malol ()
Micromerol ()
NSC-167406 ()
P&D ID
PD012044
CAS
209545-05-1
77-52-1
Tags
natural product
drug candidate
nuisance
probe
available
Drug indication
Metabolic syndrome x
Drug Status
investigational
experimental
Max Phase
2.0
Probe info
Probe type
calculated probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
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
46
Organisms
11
Compound Sets
13
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugMAP
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
Nuisance compounds in cellular assays
Probe Miner (suitable probes)
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
37
Properties
(calculated by RDKit )
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 in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Pathway
Autophagy
Metabolic Enzyme/Protease
Target
HSD11B1, PLA2G1B, PTPN1, PYGM
Endogenous Metabolite
MOA
ATPase inhibitor, NFkB pathway inhibitor, STAT inhibitor
Source data
