General
Preferred name
BERGAPTEN
Synonyms
5-Methoxypsoralen ()
Bergaptan ()
Majudin ()
Methoxsalen related compound a ()
NSC-95437 ()
Geralen ()
5-methoxypsoralen ()
Heraclin ()
Bergaptene ()
P&D ID
PD002008
CAS
484-20-8
Tags
natural product
drug
available
Drug indication
Psoriasis vulgaris
Drug Status
investigational
approved
Max Phase
4.0
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
Bergapten is a natural product found in Ficus auriculata and Ficus virens. It has been investigated for clinical applications.
(GtoPdb)
DESCRIPTION
Bergapten is a psoralen that can be photoactivated and is capable of crossing-linking DNA, covalently modifying proteins and lipids, and consequently inhibiting cell replication.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
3
Organisms
1
Compound Sets
16
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMAP
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
37
Molecular Weight
216.04
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
2.55
TPSA
52.58
Fraction CSP3
0.08
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Autophagy
Metabolic Enzyme/Protease
Target
CYP
Cytochrome P450
DNA/RNA Synthesis
Source data
