General
Preferred name
BETULINIC ACID
Synonyms
ALS-357 ()
Lupatic acid ()
Betulic acid ()
betulinic acid, Dabur ()
ALS-357, Lupatic acid, Betulic acid ()
.beta.-betulinic acid ()
NSC-677578 ()
NSC-113090 ()
Mairin ()
P&D ID
PD003655
CAS
472-15-1
Tags
available
drug
natural product
Drug indication
Melanoma
Drug Status
approved
investigational
Max Phase
1.0
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 Betulinic acid is a plant-derived triterpenoid compound. It has been isolated from the bark of white birch trees. (GtoPdb)
PRICE 29
DESCRIPTION Betulinic acid is a natural pentacyclic triterpenoid, acts as a eukaryotic topoisomerase I inhibitor, with an IC50 of 5 ¦ÌM, and possesses anti-HIV, anti-malarial, anti-inflammatory and anti-tumor properties[1][2][3][4].
DESCRIPTION natural product; inhibitor of specificity protein 1 transcription factor in cells (Informer Set)
DESCRIPTION Betulinic acid (ALS-357) is a pentacyclic lupane-type triterpene derivative of betulin (isolated from the bark of Betula alba, the common white birch) which has antiretroviral, antimalarial, and anti-inflammatory properties, as well as a more recently discovered potential as an anticancer agent, by inhibition of topoisomerase. (TargetMol Bioactive Compound Library)
Cell lines
101
Organisms
10
Compound Sets
19
AdooQ Bioactive Compound Library
A11999
Cayman Chemical Bioactives
11686
ChEMBL Drugs
CHEMBL269277
Concise Guide to Pharmacology 2017/18
3945
Concise Guide to Pharmacology 2019/20
3945
Concise Guide to Pharmacology 2021/22
3945
Concise Guide to Pharmacology 2023/24
3945
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB12480
DrugBank Approved Drugs
DB12480
DrugMAP
DMBUI2A
Guide to Pharmacology
3945
Informer Set
23256
MedChem Express Bioactive Compound Library
HY-10529
Pandemic Response Box
ReFrame library
Selleckchem Bioactive Compound Library
betulinic-acid
TargetMol Bioactive Compound Library
T2830
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
456.36
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
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
0.44
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Compound status
probe
Pathway
Apoptosis
Autophagy
DNA Damage/DNA Repair
Metabolism
Microbiology/virology
NF-κB
Proteases/Proteasome
Anti-infection
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Target
NF-¦ÊB
GPBAR1
NF-¦ÊB,Topoisomerase
Endogenous Metabolite
HIV
Mitophagy
Parasite
Topoisomerase
Aminopeptidase N
Eukaryotic topoisomerase I
HIV-1
MOA
apoptosis stimulant, NFkB pathway inhibitor
Source data