e-Drug3D

1418

MEQUINOL

DISCONTINUED


INN
MEQUINOL

cas 150-76-5
CLASS

DERMATOLOGICAL
DEPIGMENTANT
SUBSTRATE FOR THE ENZYME TYROSINASE AND ACTS AS A COMPETITIVE INHIBITOR OF THE FORMATION OF MELANIN PRECURSORS

ROUTE (list)

TOPICAL

NATURAL MOLECULE (link)

ATC code

D11AX06

PK parameters

Target

TARGET TYROSINASE

PDB
5K1M (CRYSTAL STRUCTURE OF OXIDIZED SHEWANELLA YELLOW ENZYME 4 (SYE4) IN COMPLEX WITH P-METHOXYPHENOL)

Ligand code = 4KS (link to the list of PDB complexes)

Download experimental 3D coordinates of 4KS with added hydrogens

DrugCentral

Tyrosinase UNIPROT P14679 TYR

Download SDF file 4-hydroxyanisole

Formula:
C7H8O2

Calculated chemical properties:

MW 124.13
NB_atoms 9
XLogP 1.40
PSA 32.39
NB_HD 1
NB_HA 2
fsp3 0.14
Lipinski(0=no;1=yes) 1

FDA
NDA 020922 (pdf not found) INN (MEQUINOL ; TRETINOIN) SOLAGE (ALMIRALL) APPROVAL= AP YEAR= 1999 DISCONTINUED

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL