General
Preferred name
MASLINIC ACID
Synonyms
2¦Á-Hydroxyoleanolic acid ()
2α-Hydroxyoleanoic Acid ()
2α-Hydroxyoleanolic acid ()
Crategolic acid ()
2¦Á-Hydroxyoleanoic Acid ()
Crategolic Acid, 2¦Á-Hydroxyoleanoic Acid ()
P&D ID
PD078439
CAS
4373-41-5
Tags
available
drug candidate
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 Maslinic acid can inhibit the DNA-binding activity of NF-¦ÊB p65 and abolish the phosphorylation of I¦ÊB-¦Á, which is required for p65 activation.
PRICE 93
DESCRIPTION Maslinic acid is a pentacyclic triterpene found in a variety of natural sources. It exerts a wide range of biological activities, such as antitumor, antidiabetic, antioxidant, cardioprotective, neuroprotective, antiparasitic and growth-stimulating. (BOC Sciences Bioactive Compounds)
DESCRIPTION Maslinic acid (Crategolic acid) is a DNA polymerase B inhibitor. (TargetMol Bioactive Compound Library)
Cell lines
11
Organisms
1
Compound Sets
7
BOC Sciences Bioactive Compounds
maslinic-acid-cas-4373-41-5-item-84-189015
DrugMAP
DMN9UX3
EU-OPENSCREEN Bioactive Compound Library
EOS100026
MedChem Express Bioactive Compound Library
HY-N0629
Selleckchem Bioactive Compound Library
maslinic-acid
TargetMol Bioactive Compound Library
T3772
ZINC Tool Compounds
ZINC000004273446
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
472.36
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
0
cLogP
6.2
TPSA
77.76
Fraction CSP3
0.9
Chiral centers
9.0
Largest ring
6.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
NF-??
Cell Cycle/Checkpoint
DNA Damage/DNA Repair
Microbiology/virology
Proteases/Proteasome
Anti-infection
Metabolic Enzyme/Protease
Target
Bacterial
DNA polymerase B
HIV
NF-κB
Endogenous Metabolite
Solubility
water, 0.00396 mg/L @ 25 °C (est)
Source data