e-Drug3D

318

METYRAPONE

INN
METYRAPONE

cas 54-36-4

CLASS

VARIOUS
ANTIMETABOLITES
INHIBITOR OF ENDOGENOUS ADRENAL CORTICOSTEROID SYNTHESIS
REDUCE CORTISOL AND CORTICOSTERONE PRODUCTION BY INHIBITING THE 11-BETA-HYDROXYLATION REACTION IN THE ADRENAL CORTEX RESULTING IN AN INCREASE IN ADRENOCORTICOTROPIC HORMONE (ACTH) PRODUCTION BY THE PITUITARY
ALSO SUPPRESS BIOSYNTHESIS OF ALDOSTERONE
CYP11B1 INHIBITOR

ROUTE (list)

ORAL

ATC code

V04CD01

PK parameters

Tmax 1 HOUR
t1/2 1.9 HOUR

Solubility

SPARINGLY SOLUBLE IN WATER

Target

TARGET CYTOCHROME P450 CYP11B1

PDB
1W0G (CRYSTAL STRUCTURE OF HUMAN CYTOCHROME P450 3A4)

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

Download experimental 3D coordinates of MYT with added hydrogens

DrugCentral

Cytochrome P450 11B1, mitochondrial UNIPROT P15538 CYP11B1

Download SDF file

2-methyl-1,2-di(pyridin-3-yl)propan-1-one

Formula:
C14H14N2O

Calculated chemical properties:

MW 226.27
NB_atoms 17
XLogP 2.64
PSA 37.305
NB_HD 0
NB_HA 3
fsp3 0.21
Lipinski(0=no;1=yes) 1

FDA
NDA 012911 (label) INN (METYRAPONE) METOPIRONE (ESTEVE) APPROVAL= AP YEAR= 1961