General
Preferred name
TRIOXSALEN
Synonyms
Nsc 7104 ()
Trimethylpsoralen ()
Trioxysalen ()
Trisoralen ()
Trioxsalen ()
TMP ()
4,5',8-trimethylpsoralen ()
NSC-71047 ()
Trioxisaleno ()
Trioxysalene ()
Tmp (psoralen) ()
P&D ID
PD002100
CAS
3902-71-4
Tags
drug
available
Approved by
FDA
First approval
1964
Drug Status
approved
withdrawn
Max Phase
4.0
Drug indication
psoriasis
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION Trioxsalen is a derivative of the photoactive probe psoralen. Trioxsalen is a pigmenting photosensitizing agent used in conjunction with ultraviolet light in the treatment of vitiligo. (Enamine Bioactive Compounds)
DESCRIPTION Trioxsalen (Trioxysalen) is a furanocoumarin and a psoralen derivative, in conjunction with UV-A for phototherapy treatment of vitiligo and hand eczema. After photoactivation it creates interstrand cross-links in DNA, which can cause programmed cell death. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
21
Cayman Chemical Bioactives
20044
CeMM library of unique drugs (CLOUD)
ChEMBL Approved Drugs
CHEMBL1475
ChEMBL Drugs
CHEMBL1475
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB04571
DrugBank Approved Drugs
DB04571
DrugCentral
2759
DrugCentral Approved Drugs
2759
DrugMatrix
Enamine Bioactive Compounds
EBC-06587
Enamine BioReference Compounds
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1475
MedChem Express Bioactive Compound Library
HY-B1157
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
TargetMol Bioactive Compound Library
T4558
The Spectrum Collection
Withdrawn 2.0
308
External IDs
36
Properties
(calculated by RDKit )
Molecular Weight
228.08
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
3
cLogP
3.46
TPSA
43.35
Fraction CSP3
0.21
Chiral centers
0.0
Largest ring
6.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
DNA intercalator
DNA synthesis inhibitor
Target
DNA
DHFR
DNA alkylator/crosslinker
Indication
vitiligo, eczema
ATC
D05AD01
D05BA01
Pathway
Cell Cycle/Checkpoint
DNA Damage/DNA Repair
Metabolism
Cell Cycle/DNA Damage
Source data