General
Preferred name
BETULINIC ACID
Synonyms
Betulic acid ()
Lupatic acid ()
ALS-357 ()
betulinic acid, Dabur ()
ALS-357, Lupatic acid, Betulic acid ()
Mairin ()
NSC-677578 ()
.beta.-betulinic acid ()
NSC-113090 ()
P&D ID
PD003655
CAS
472-15-1
Tags
natural product
drug
available
Drug Status
investigational
approved
Drug indication
Melanoma
Max Phase
Phase 1
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
natural product; inhibitor of specificity protein 1 transcription factor in cells
(Informer Set)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
97
Organisms
10
Compound Sets
18
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugMAP
Guide to Pharmacology
Informer Set
MedChem Express Bioactive Compound Library
Pandemic Response Box
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
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
Microbiology&virology
DNA Damage/DNA Repair
Metabolism
Proteases/Proteasome
Anti-infection
Apoptosis
Autophagy
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
NF-κB
Target
Aminopeptidase N
HIV-1
Eukaryotic topoisomerase I
NF-¦ÊB
GPBAR1
Endogenous Metabolite
HIV
Mitophagy
Parasite
Topoisomerase
NF-¦ÊB,Topoisomerase
MOA
apoptosis stimulant, NFkB pathway inhibitor
Source data
