e-Drug3D

138

METHOXSALEN

INN
METHOXSALEN

cas 298-81-7

CLASS

ANTINEOPLASTIC AGENTS
DERMATOLOGICALS
PUVA TREATMENT
CROSS-LINKING REAGENTS
PHOTOSENSITIZING AGENTS
PIGMENTING AGENTS
PHOTOACTIVE SUBSTANCE FOUND IN THE SEEDS OF THE AMMI MAJUS (UMBELLIFERAE) PLANT AND IN THE ROOTS OF HERACLEUM CANDICANS
TREATMENT OF PSORIASIS

ROUTE (list)

ORAL TOPICAL INJECTION

NATURAL MOLECULE (link)

ATC code

D05AD02
D05BA02

PK parameters

Tmax 1.8 HOUR
VD 325 LITER (65 KILOGRAM)
Cl 345 LITER / HOUR (PMID3512141)
t1/2 2 HOUR

Target

TARGET DNA

PDB
1Z11 (CRYSTAL STRUCTURE OF HUMAN MICROSOMAL P450 2A6 WITH METHOXSALEN BOUND)

Ligand code = 8MO (link to the list of PDB complexes)

Download experimental 3D coordinates of 8MO with added hydrogens

DrugCentral

Unknown

Download SDF file

9-methoxyfuro[3,2-g]chromen-7-one

Formula:
C12H8O4

Calculated chemical properties:

MW 216.18
NB_atoms 16
XLogP 2.55
PSA 49.164
NB_HD 0
NB_HA 4
fsp3 0.08
Lipinski(0=no;1=yes) 1

FDA
NDA 087781 (pdf not found) INN (METHOXSALEN) METHOXSALEN (ANI PHARMS) APPROVAL= - YEAR= 0 DISCONTINUED
NDA 009048 (label) INN (METHOXSALEN) 8-MOP (VALEANT PHARM INTL) APPROVAL= AP YEAR= 1954 DISCONTINUED
NDA 019600 (label) INN (METHOXSALEN) OXSORALEN-ULTRA (BAUSCH) APPROVAL= AP YEAR= 1986
NDA 020969 (label) INN (METHOXSALEN) UVADEX (THERAKOS DEVELOPMENT) APPROVAL= AP YEAR= 1999
NDA 202687 (pdf not found) INN (METHOXSALEN) METHOXSALEN (ONESOURCE SPECIALTY) APPROVAL= AP YEAR= 2014
NDA 202603 (pdf not found) INN (METHOXSALEN) METHOXSALEN (ACTAVIS INC) APPROVAL= AP YEAR= 2015 DISCONTINUED