General
Preferred name
METHOXSALEN
Synonyms
7H-furo(3,2-g)(1)benzopyran-7-one, 9-methoxy- ()
8-MOP ()
Xanthotoxin ()
NCI-C55903 ()
8-Methoxypsoralen ()
Methoxy-8-psoralen ()
Methoxa-Dome ()
Oxsoralen ()
8-Methoxy-2',3',6,7-furocoumarin ()
8-Methoxypsoralene ()
Puvalen ()
Ammodin ()
Oxoralen ()
Methoxsalen298-81-7 ()
Xanthotoxin, NCI-C55903 ()
Meladinine ()
Oxypsoralen ()
Uvadex ()
SM-88 COMPONENT METHOXSALEN ()
8-methoxsalen ()
Vitpso ()
Deltasoralen ()
Puvasoralen-8 ()
Metoxalen ()
NSC-45923 ()
Oxsoralen-Ultra ()
P&D ID
PD001860
CAS
298-81-7
12692-94-3
Tags
probe
natural product
drug
available
Approved by
FDA
First approval
1954
Drug Status
approved
Drug indication
Cutaneous T-cell lymphoma
Psoriasis vulgaris
Pigmentation Agent
Max Phase
Phase 4
Probe info
Probe selectivity
protein-selective
Probe type
P&D approved
calculated probe
Probe sources
High-quality chemical probes
Probe Miner (suitable probes)
Probe targets
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 Methoxsalen (xanthotoxin) is a naturally occurring furocoumarin compound that is present in several species of plants, including Psoralea corylifolia (babchi) which is a traditional medicinal plant and Ammi majus (bishop's flower). (GtoPdb)
Cell lines
9
Organisms
0
Compound Sets
29
Axon Medchem Screening Library
3449
ChEMBL Approved Drugs
CHEMBL416
ChEMBL Drugs
CHEMBL416
Concise Guide to Pharmacology 2023/24
12457
Drug Repurposing Hub
DrugBank
DB00553
DrugBank Approved Drugs
DB00553
DrugCentral
30
DrugCentral Approved Drugs
30
DrugMAP
DME8FZ9
DrugMAP Approved Drugs
DME8FZ9
DrugMatrix
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS100394
Guide to Pharmacology
12457
High-quality chemical probes
PD001860
JUMP-Target 1 Compound Set
4114
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL416
MedChem Express Bioactive Compound Library
HY-30151
NCATS Inxight Approved Drugs
U4VJ29L7BQ
NIH Approved Oncology Drugs
99459
NIH Clinical Collections (NCC)
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Probe Miner (suitable probes)
P05177/70322
ReFrame library
Selleckchem Bioactive Compound Library
Methoxsalen(Oxsoralen)
TargetMol Bioactive Compound Library
T1548
The Spectrum Collection
External IDs
53
Properties
(calculated by RDKit )
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
DNA Damage/DNA Repair
Metabolic Enzyme/Protease
Target
DNA
CYP1A1, CYP1A2, CYP2A13, CYP2A6, CYP3A4
CYP2A6 inhibitor
CYP1A2
Cytochrome P450
P450 (e.g. CYP17)
Member status
member
MOA
DNA-Damaging Drugs
Cytochrome P450 CYP1A2 Inhibitors
DNA synthesis inhibitor
Indication
psoriasis
Therapeutic Class
Anticancer Agents
Source data